USER MOD reduce.3.24.130724 H: found=0, std=0, add=1059, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1059 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 THR OG1 : rot -85:sc= 0.389 USER MOD Set 1.2: A 129 HIS :FLIP no HD1:sc= 0.806 F(o=-0.62,f=1.2) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 38 ASN : amide:sc= 0 K(o=-1.2,f=-3.2) USER MOD Set 3.2: A 41 ASN :FLIP amide:sc= -1.15 F(o=-2.2,f=-1.2) USER MOD Set 4.1: A 19 ASN :FLIP amide:sc= 0.023 F(o=-2.5!,f=-0.33) USER MOD Set 4.2: A 102 TYR OH : rot 130:sc= -0.352 USER MOD Set 5.1: A 8 ASN : amide:sc= -2.7! C(o=-4.6!,f=-10!) USER MOD Set 5.2: A 11 LYS NZ :NH3+ 161:sc= -1.92! (180deg=-3.17!) USER MOD Set 6.1: A 1 PHE N :NH3+ 175:sc= 0.23 (180deg=0.0989) USER MOD Set 6.2: A 3 LYS NZ :NH3+ -168:sc= -0.042 (180deg=-0.278) USER MOD Single : A 2 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.024) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= -0.0361 (180deg=-0.248) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -0.0259 (180deg=-0.297) USER MOD Single : A 17 THR OG1 : rot 64:sc= 1.29 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.697 F(o=-4.9!,f=-0.7) USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0293 (180deg=-0.235) USER MOD Single : A 30 SER OG : rot -21:sc= -0.611 USER MOD Single : A 33 GLN : amide:sc= -3.02 X(o=-3,f=-2.9) USER MOD Single : A 34 TYR OH : rot -126:sc= 0.27 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc=-0.00597 USER MOD Single : A 44 LYS NZ :NH3+ -137:sc= -0.92 (180deg=-1.85) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0664 (180deg=-0.397) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 34:sc= 0.304 USER MOD Single : A 68 THR OG1 : rot 110:sc= -0.266 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.247 F(o=-4.7!,f=-0.25) USER MOD Single : A 80 SER OG : rot -30:sc= 0.528 USER MOD Single : A 81 GLN : amide:sc= -1.27 K(o=-1.3,f=-1.8) USER MOD Single : A 87 THR OG1 : rot 72:sc= -0.29 USER MOD Single : A 91 GLN : amide:sc= -0.775 X(o=-0.78,f=-0.87) USER MOD Single : A 93 MET CE :methyl -114:sc= -2.42! (180deg=-4.7!) USER MOD Single : A 97 SER OG : rot -93:sc= 1.05 USER MOD Single : A 105 SER OG : rot -170:sc= 0.00649 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= -2.7 X(o=-2.7,f=-3!) USER MOD Single : A 123 THR OG1 : rot -110:sc= -0.295 USER MOD Single : A 127 LYS NZ :NH3+ 155:sc= -1.51! (180deg=-3.37!) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ -164:sc= -0.0631 (180deg=-0.356) USER MOD Single : A 136 SER OG : rot -62:sc= 0.221 USER MOD Single : A 137 SER OG : rot 45:sc= 0.782 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -24.582 9.411 3.129 1.00 1.58 N ATOM 2 CA PHE A 1 -23.114 9.376 2.907 1.00 0.99 C ATOM 3 C PHE A 1 -22.543 8.006 3.252 1.00 0.95 C ATOM 4 O PHE A 1 -21.816 7.409 2.460 1.00 0.87 O ATOM 5 CB PHE A 1 -22.425 10.450 3.753 1.00 1.84 C ATOM 6 CG PHE A 1 -22.797 11.851 3.363 1.00 2.02 C ATOM 7 CD1 PHE A 1 -23.938 12.448 3.875 1.00 2.67 C ATOM 8 CD2 PHE A 1 -22.007 12.572 2.481 1.00 1.89 C ATOM 9 CE1 PHE A 1 -24.283 13.737 3.517 1.00 3.09 C ATOM 10 CE2 PHE A 1 -22.347 13.861 2.119 1.00 2.25 C ATOM 11 CZ PHE A 1 -23.481 14.448 2.643 1.00 2.83 C ATOM 0 H1 PHE A 1 -24.934 10.376 2.969 1.00 1.58 H new ATOM 0 H2 PHE A 1 -25.049 8.758 2.468 1.00 1.58 H new ATOM 0 H3 PHE A 1 -24.792 9.124 4.106 1.00 1.58 H new ATOM 0 HA PHE A 1 -22.928 9.574 1.851 1.00 0.99 H new ATOM 0 HB2 PHE A 1 -22.679 10.294 4.801 1.00 1.84 H new ATOM 0 HB3 PHE A 1 -21.345 10.332 3.666 1.00 1.84 H new ATOM 0 HD1 PHE A 1 -24.565 11.899 4.562 1.00 2.67 H new ATOM 0 HD2 PHE A 1 -21.115 12.121 2.072 1.00 1.89 H new ATOM 0 HE1 PHE A 1 -25.178 14.189 3.919 1.00 3.09 H new ATOM 0 HE2 PHE A 1 -21.726 14.409 1.426 1.00 2.25 H new ATOM 0 HZ PHE A 1 -23.741 15.460 2.371 1.00 2.83 H new ATOM 23 N ASN A 2 -22.880 7.512 4.439 1.00 1.03 N ATOM 24 CA ASN A 2 -22.399 6.212 4.891 1.00 1.03 C ATOM 25 C ASN A 2 -22.904 5.095 3.988 1.00 0.98 C ATOM 26 O ASN A 2 -22.324 4.011 3.951 1.00 0.95 O ATOM 27 CB ASN A 2 -22.822 5.956 6.338 1.00 1.14 C ATOM 28 CG ASN A 2 -24.322 6.062 6.528 1.00 1.25 C ATOM 29 OD1 ASN A 2 -25.047 5.076 6.397 1.00 2.08 O ATOM 30 ND2 ASN A 2 -24.794 7.262 6.841 1.00 1.42 N ATOM 0 H ASN A 2 -23.485 7.993 5.105 1.00 1.03 H new ATOM 0 HA ASN A 2 -21.310 6.223 4.841 1.00 1.03 H new ATOM 0 HB2 ASN A 2 -22.489 4.963 6.641 1.00 1.14 H new ATOM 0 HB3 ASN A 2 -22.324 6.672 6.992 1.00 1.14 H new ATOM 0 HD21 ASN A 2 -25.795 7.395 6.983 1.00 1.42 H new ATOM 0 HD22 ASN A 2 -24.156 8.051 6.939 1.00 1.42 H new ATOM 37 N LYS A 3 -23.990 5.355 3.268 1.00 0.99 N ATOM 38 CA LYS A 3 -24.539 4.361 2.358 1.00 0.99 C ATOM 39 C LYS A 3 -23.507 4.030 1.287 1.00 0.88 C ATOM 40 O LYS A 3 -23.344 2.873 0.892 1.00 0.88 O ATOM 41 CB LYS A 3 -25.834 4.869 1.718 1.00 1.05 C ATOM 42 CG LYS A 3 -25.650 6.109 0.857 1.00 1.40 C ATOM 43 CD LYS A 3 -26.974 6.584 0.280 1.00 1.98 C ATOM 44 CE LYS A 3 -26.786 7.796 -0.618 1.00 2.69 C ATOM 45 NZ LYS A 3 -26.111 8.916 0.095 1.00 3.23 N ATOM 0 H LYS A 3 -24.502 6.237 3.297 1.00 0.99 H new ATOM 0 HA LYS A 3 -24.776 3.457 2.919 1.00 0.99 H new ATOM 0 HB2 LYS A 3 -26.262 4.074 1.107 1.00 1.05 H new ATOM 0 HB3 LYS A 3 -26.555 5.089 2.505 1.00 1.05 H new ATOM 0 HG2 LYS A 3 -25.204 6.905 1.453 1.00 1.40 H new ATOM 0 HG3 LYS A 3 -24.955 5.891 0.046 1.00 1.40 H new ATOM 0 HD2 LYS A 3 -27.435 5.776 -0.288 1.00 1.98 H new ATOM 0 HD3 LYS A 3 -27.658 6.833 1.092 1.00 1.98 H new ATOM 0 HE2 LYS A 3 -26.197 7.514 -1.490 1.00 2.69 H new ATOM 0 HE3 LYS A 3 -27.757 8.131 -0.984 1.00 2.69 H new ATOM 0 HZ1 LYS A 3 -26.182 9.783 -0.475 1.00 3.23 H new ATOM 0 HZ2 LYS A 3 -26.570 9.068 1.016 1.00 3.23 H new ATOM 0 HZ3 LYS A 3 -25.109 8.680 0.243 1.00 3.23 H new ATOM 59 N LYS A 4 -22.798 5.061 0.835 1.00 0.82 N ATOM 60 CA LYS A 4 -21.763 4.898 -0.175 1.00 0.74 C ATOM 61 C LYS A 4 -20.492 4.374 0.476 1.00 0.69 C ATOM 62 O LYS A 4 -19.748 3.596 -0.121 1.00 0.64 O ATOM 63 CB LYS A 4 -21.488 6.227 -0.883 1.00 0.74 C ATOM 64 CG LYS A 4 -20.466 6.120 -2.004 1.00 1.23 C ATOM 65 CD LYS A 4 -20.216 7.468 -2.660 1.00 1.54 C ATOM 66 CE LYS A 4 -19.210 7.358 -3.796 1.00 2.11 C ATOM 67 NZ LYS A 4 -19.697 6.470 -4.887 1.00 2.63 N ATOM 0 H LYS A 4 -22.924 6.021 1.156 1.00 0.82 H new ATOM 0 HA LYS A 4 -22.106 4.180 -0.920 1.00 0.74 H new ATOM 0 HB2 LYS A 4 -22.423 6.612 -1.290 1.00 0.74 H new ATOM 0 HB3 LYS A 4 -21.136 6.953 -0.150 1.00 0.74 H new ATOM 0 HG2 LYS A 4 -19.529 5.728 -1.608 1.00 1.23 H new ATOM 0 HG3 LYS A 4 -20.818 5.410 -2.752 1.00 1.23 H new ATOM 0 HD2 LYS A 4 -21.155 7.868 -3.042 1.00 1.54 H new ATOM 0 HD3 LYS A 4 -19.849 8.174 -1.915 1.00 1.54 H new ATOM 0 HE2 LYS A 4 -19.008 8.350 -4.199 1.00 2.11 H new ATOM 0 HE3 LYS A 4 -18.267 6.973 -3.409 1.00 2.11 H new ATOM 0 HZ1 LYS A 4 -19.107 6.604 -5.733 1.00 2.63 H new ATOM 0 HZ2 LYS A 4 -19.640 5.478 -4.579 1.00 2.63 H new ATOM 0 HZ3 LYS A 4 -20.684 6.706 -5.112 1.00 2.63 H new ATOM 81 N ALA A 5 -20.251 4.812 1.709 1.00 0.73 N ATOM 82 CA ALA A 5 -19.082 4.384 2.461 1.00 0.73 C ATOM 83 C ALA A 5 -19.072 2.867 2.595 1.00 0.71 C ATOM 84 O ALA A 5 -18.084 2.204 2.272 1.00 0.64 O ATOM 85 CB ALA A 5 -19.072 5.047 3.830 1.00 0.82 C ATOM 0 H ALA A 5 -20.855 5.466 2.208 1.00 0.73 H new ATOM 0 HA ALA A 5 -18.182 4.687 1.925 1.00 0.73 H new ATOM 0 HB1 ALA A 5 -18.193 4.721 4.386 1.00 0.82 H new ATOM 0 HB2 ALA A 5 -19.044 6.130 3.710 1.00 0.82 H new ATOM 0 HB3 ALA A 5 -19.972 4.766 4.377 1.00 0.82 H new ATOM 91 N ASP A 6 -20.185 2.322 3.071 1.00 0.80 N ATOM 92 CA ASP A 6 -20.314 0.880 3.224 1.00 0.81 C ATOM 93 C ASP A 6 -20.257 0.219 1.859 1.00 0.75 C ATOM 94 O ASP A 6 -19.704 -0.875 1.707 1.00 0.74 O ATOM 95 CB ASP A 6 -21.621 0.526 3.937 1.00 0.90 C ATOM 96 CG ASP A 6 -21.774 -0.966 4.156 1.00 1.65 C ATOM 97 OD1 ASP A 6 -21.274 -1.469 5.185 1.00 1.58 O ATOM 98 OD2 ASP A 6 -22.396 -1.630 3.301 1.00 2.57 O ATOM 0 H ASP A 6 -21.007 2.855 3.356 1.00 0.80 H new ATOM 0 HA ASP A 6 -19.489 0.513 3.835 1.00 0.81 H new ATOM 0 HB2 ASP A 6 -21.657 1.037 4.899 1.00 0.90 H new ATOM 0 HB3 ASP A 6 -22.463 0.892 3.350 1.00 0.90 H new ATOM 103 N GLU A 7 -20.832 0.887 0.864 1.00 0.74 N ATOM 104 CA GLU A 7 -20.811 0.374 -0.493 1.00 0.71 C ATOM 105 C GLU A 7 -19.366 0.128 -0.902 1.00 0.63 C ATOM 106 O GLU A 7 -19.067 -0.802 -1.652 1.00 0.59 O ATOM 107 CB GLU A 7 -21.473 1.362 -1.456 1.00 0.72 C ATOM 108 CG GLU A 7 -21.745 0.781 -2.834 1.00 1.31 C ATOM 109 CD GLU A 7 -22.369 1.790 -3.777 1.00 1.58 C ATOM 110 OE1 GLU A 7 -23.582 2.058 -3.642 1.00 2.10 O ATOM 111 OE2 GLU A 7 -21.645 2.312 -4.652 1.00 1.91 O ATOM 0 H GLU A 7 -21.314 1.779 0.975 1.00 0.74 H new ATOM 0 HA GLU A 7 -21.371 -0.560 -0.535 1.00 0.71 H new ATOM 0 HB2 GLU A 7 -22.413 1.703 -1.023 1.00 0.72 H new ATOM 0 HB3 GLU A 7 -20.833 2.238 -1.560 1.00 0.72 H new ATOM 0 HG2 GLU A 7 -20.811 0.418 -3.262 1.00 1.31 H new ATOM 0 HG3 GLU A 7 -22.407 -0.079 -2.738 1.00 1.31 H new ATOM 118 N ASN A 8 -18.470 0.975 -0.390 1.00 0.61 N ATOM 119 CA ASN A 8 -17.050 0.847 -0.682 1.00 0.54 C ATOM 120 C ASN A 8 -16.495 -0.399 -0.018 1.00 0.48 C ATOM 121 O ASN A 8 -15.662 -1.102 -0.587 1.00 0.39 O ATOM 122 CB ASN A 8 -16.272 2.065 -0.183 1.00 0.62 C ATOM 123 CG ASN A 8 -16.910 3.378 -0.578 1.00 0.62 C ATOM 124 OD1 ASN A 8 -17.551 3.486 -1.624 1.00 1.40 O ATOM 125 ND2 ASN A 8 -16.731 4.389 0.265 1.00 0.55 N ATOM 0 H ASN A 8 -18.707 1.753 0.226 1.00 0.61 H new ATOM 0 HA ASN A 8 -16.937 0.776 -1.764 1.00 0.54 H new ATOM 0 HB2 ASN A 8 -16.193 2.018 0.903 1.00 0.62 H new ATOM 0 HB3 ASN A 8 -15.257 2.027 -0.578 1.00 0.62 H new ATOM 0 HD21 ASN A 8 -17.133 5.303 0.057 1.00 0.55 H new ATOM 0 HD22 ASN A 8 -16.192 4.251 1.120 1.00 0.55 H new ATOM 132 N LYS A 9 -16.957 -0.657 1.202 1.00 0.57 N ATOM 133 CA LYS A 9 -16.519 -1.830 1.948 1.00 0.57 C ATOM 134 C LYS A 9 -16.784 -3.110 1.161 1.00 0.48 C ATOM 135 O LYS A 9 -16.033 -4.078 1.266 1.00 0.44 O ATOM 136 CB LYS A 9 -17.232 -1.899 3.299 1.00 0.72 C ATOM 137 CG LYS A 9 -16.650 -2.940 4.240 1.00 0.86 C ATOM 138 CD LYS A 9 -17.357 -2.937 5.586 1.00 1.55 C ATOM 139 CE LYS A 9 -18.795 -3.418 5.468 1.00 1.84 C ATOM 140 NZ LYS A 9 -18.872 -4.831 5.000 1.00 2.67 N ATOM 0 H LYS A 9 -17.632 -0.071 1.693 1.00 0.57 H new ATOM 0 HA LYS A 9 -15.445 -1.740 2.113 1.00 0.57 H new ATOM 0 HB2 LYS A 9 -17.183 -0.921 3.777 1.00 0.72 H new ATOM 0 HB3 LYS A 9 -18.286 -2.120 3.133 1.00 0.72 H new ATOM 0 HG2 LYS A 9 -16.734 -3.928 3.787 1.00 0.86 H new ATOM 0 HG3 LYS A 9 -15.588 -2.745 4.386 1.00 0.86 H new ATOM 0 HD2 LYS A 9 -16.815 -3.577 6.283 1.00 1.55 H new ATOM 0 HD3 LYS A 9 -17.343 -1.930 6.002 1.00 1.55 H new ATOM 0 HE2 LYS A 9 -19.288 -3.329 6.436 1.00 1.84 H new ATOM 0 HE3 LYS A 9 -19.337 -2.776 4.774 1.00 1.84 H new ATOM 0 HZ1 LYS A 9 -19.828 -5.202 5.172 1.00 2.67 H new ATOM 0 HZ2 LYS A 9 -18.663 -4.871 3.982 1.00 2.67 H new ATOM 0 HZ3 LYS A 9 -18.179 -5.407 5.519 1.00 2.67 H new ATOM 154 N VAL A 10 -17.857 -3.108 0.372 1.00 0.48 N ATOM 155 CA VAL A 10 -18.217 -4.279 -0.426 1.00 0.44 C ATOM 156 C VAL A 10 -17.353 -4.402 -1.678 1.00 0.39 C ATOM 157 O VAL A 10 -16.761 -5.452 -1.927 1.00 0.37 O ATOM 158 CB VAL A 10 -19.692 -4.240 -0.861 1.00 0.51 C ATOM 159 CG1 VAL A 10 -20.131 -5.601 -1.378 1.00 1.27 C ATOM 160 CG2 VAL A 10 -20.583 -3.782 0.284 1.00 1.15 C ATOM 0 H VAL A 10 -18.489 -2.314 0.268 1.00 0.48 H new ATOM 0 HA VAL A 10 -18.048 -5.141 0.219 1.00 0.44 H new ATOM 0 HB VAL A 10 -19.791 -3.518 -1.672 1.00 0.51 H new ATOM 0 HG11 VAL A 10 -21.177 -5.555 -1.681 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -19.517 -5.880 -2.234 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -20.014 -6.345 -0.590 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -21.621 -3.763 -0.048 1.00 1.15 H new ATOM 0 HG22 VAL A 10 -20.483 -4.472 1.122 1.00 1.15 H new ATOM 0 HG23 VAL A 10 -20.284 -2.782 0.600 1.00 1.15 H new ATOM 170 N LYS A 11 -17.286 -3.332 -2.468 1.00 0.38 N ATOM 171 CA LYS A 11 -16.494 -3.346 -3.693 1.00 0.37 C ATOM 172 C LYS A 11 -15.017 -3.543 -3.374 1.00 0.31 C ATOM 173 O LYS A 11 -14.254 -4.049 -4.198 1.00 0.30 O ATOM 174 CB LYS A 11 -16.702 -2.058 -4.499 1.00 0.40 C ATOM 175 CG LYS A 11 -16.322 -0.787 -3.758 1.00 0.39 C ATOM 176 CD LYS A 11 -16.494 0.443 -4.640 1.00 0.46 C ATOM 177 CE LYS A 11 -17.959 0.733 -4.927 1.00 1.37 C ATOM 178 NZ LYS A 11 -18.656 1.297 -3.738 1.00 1.69 N ATOM 0 H LYS A 11 -17.767 -2.452 -2.283 1.00 0.38 H new ATOM 0 HA LYS A 11 -16.832 -4.184 -4.302 1.00 0.37 H new ATOM 0 HB2 LYS A 11 -16.116 -2.119 -5.416 1.00 0.40 H new ATOM 0 HB3 LYS A 11 -17.749 -1.993 -4.794 1.00 0.40 H new ATOM 0 HG2 LYS A 11 -16.940 -0.686 -2.866 1.00 0.39 H new ATOM 0 HG3 LYS A 11 -15.287 -0.855 -3.423 1.00 0.39 H new ATOM 0 HD2 LYS A 11 -16.042 1.306 -4.152 1.00 0.46 H new ATOM 0 HD3 LYS A 11 -15.962 0.293 -5.580 1.00 0.46 H new ATOM 0 HE2 LYS A 11 -18.034 1.434 -5.758 1.00 1.37 H new ATOM 0 HE3 LYS A 11 -18.457 -0.185 -5.238 1.00 1.37 H new ATOM 0 HZ1 LYS A 11 -19.530 1.773 -4.041 1.00 1.69 H new ATOM 0 HZ2 LYS A 11 -18.891 0.529 -3.077 1.00 1.69 H new ATOM 0 HZ3 LYS A 11 -18.034 1.983 -3.264 1.00 1.69 H new ATOM 192 N GLY A 12 -14.624 -3.139 -2.171 1.00 0.31 N ATOM 193 CA GLY A 12 -13.247 -3.287 -1.752 1.00 0.29 C ATOM 194 C GLY A 12 -12.925 -4.719 -1.388 1.00 0.27 C ATOM 195 O GLY A 12 -11.941 -5.283 -1.866 1.00 0.28 O ATOM 0 H GLY A 12 -15.238 -2.711 -1.478 1.00 0.31 H new ATOM 0 HA2 GLY A 12 -12.585 -2.957 -2.553 1.00 0.29 H new ATOM 0 HA3 GLY A 12 -13.056 -2.642 -0.895 1.00 0.29 H new ATOM 199 N GLU A 13 -13.764 -5.312 -0.541 1.00 0.26 N ATOM 200 CA GLU A 13 -13.576 -6.694 -0.122 1.00 0.26 C ATOM 201 C GLU A 13 -13.771 -7.633 -1.305 1.00 0.23 C ATOM 202 O GLU A 13 -13.208 -8.725 -1.343 1.00 0.23 O ATOM 203 CB GLU A 13 -14.551 -7.055 1.001 1.00 0.30 C ATOM 204 CG GLU A 13 -16.009 -7.054 0.570 1.00 1.16 C ATOM 205 CD GLU A 13 -16.951 -7.438 1.695 1.00 1.67 C ATOM 206 OE1 GLU A 13 -17.221 -8.647 1.857 1.00 2.39 O ATOM 207 OE2 GLU A 13 -17.418 -6.530 2.413 1.00 1.95 O ATOM 0 H GLU A 13 -14.580 -4.855 -0.133 1.00 0.26 H new ATOM 0 HA GLU A 13 -12.559 -6.804 0.254 1.00 0.26 H new ATOM 0 HB2 GLU A 13 -14.297 -8.042 1.387 1.00 0.30 H new ATOM 0 HB3 GLU A 13 -14.424 -6.349 1.821 1.00 0.30 H new ATOM 0 HG2 GLU A 13 -16.274 -6.063 0.202 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -16.139 -7.748 -0.260 1.00 1.16 H new ATOM 214 N ALA A 14 -14.579 -7.201 -2.267 1.00 0.22 N ATOM 215 CA ALA A 14 -14.837 -7.999 -3.460 1.00 0.21 C ATOM 216 C ALA A 14 -13.640 -7.958 -4.397 1.00 0.19 C ATOM 217 O ALA A 14 -13.333 -8.935 -5.080 1.00 0.23 O ATOM 218 CB ALA A 14 -16.089 -7.503 -4.170 1.00 0.23 C ATOM 0 H ALA A 14 -15.066 -6.305 -2.244 1.00 0.22 H new ATOM 0 HA ALA A 14 -15.000 -9.033 -3.156 1.00 0.21 H new ATOM 0 HB1 ALA A 14 -16.268 -8.109 -5.058 1.00 0.23 H new ATOM 0 HB2 ALA A 14 -16.944 -7.583 -3.498 1.00 0.23 H new ATOM 0 HB3 ALA A 14 -15.953 -6.462 -4.462 1.00 0.23 H new ATOM 224 N PHE A 15 -12.965 -6.813 -4.422 1.00 0.19 N ATOM 225 CA PHE A 15 -11.791 -6.633 -5.262 1.00 0.17 C ATOM 226 C PHE A 15 -10.674 -7.577 -4.831 1.00 0.15 C ATOM 227 O PHE A 15 -10.168 -8.359 -5.634 1.00 0.15 O ATOM 228 CB PHE A 15 -11.321 -5.174 -5.195 1.00 0.20 C ATOM 229 CG PHE A 15 -9.834 -4.993 -5.329 1.00 0.19 C ATOM 230 CD1 PHE A 15 -9.184 -5.280 -6.519 1.00 0.20 C ATOM 231 CD2 PHE A 15 -9.090 -4.522 -4.260 1.00 0.22 C ATOM 232 CE1 PHE A 15 -7.817 -5.104 -6.637 1.00 0.22 C ATOM 233 CE2 PHE A 15 -7.724 -4.341 -4.372 1.00 0.23 C ATOM 234 CZ PHE A 15 -7.088 -4.635 -5.561 1.00 0.21 C ATOM 0 H PHE A 15 -13.214 -5.994 -3.867 1.00 0.19 H new ATOM 0 HA PHE A 15 -12.055 -6.870 -6.292 1.00 0.17 H new ATOM 0 HB2 PHE A 15 -11.816 -4.609 -5.985 1.00 0.20 H new ATOM 0 HB3 PHE A 15 -11.643 -4.745 -4.246 1.00 0.20 H new ATOM 0 HD1 PHE A 15 -9.751 -5.645 -7.363 1.00 0.20 H new ATOM 0 HD2 PHE A 15 -9.583 -4.293 -3.327 1.00 0.22 H new ATOM 0 HE1 PHE A 15 -7.320 -5.333 -7.568 1.00 0.22 H new ATOM 0 HE2 PHE A 15 -7.156 -3.971 -3.531 1.00 0.23 H new ATOM 0 HZ PHE A 15 -6.020 -4.498 -5.650 1.00 0.21 H new ATOM 244 N LEU A 16 -10.297 -7.499 -3.558 1.00 0.16 N ATOM 245 CA LEU A 16 -9.238 -8.353 -3.030 1.00 0.18 C ATOM 246 C LEU A 16 -9.644 -9.821 -3.078 1.00 0.18 C ATOM 247 O LEU A 16 -8.796 -10.698 -3.248 1.00 0.19 O ATOM 248 CB LEU A 16 -8.862 -7.953 -1.609 1.00 0.24 C ATOM 249 CG LEU A 16 -10.017 -7.467 -0.742 1.00 0.40 C ATOM 250 CD1 LEU A 16 -10.634 -8.628 0.024 1.00 0.53 C ATOM 251 CD2 LEU A 16 -9.546 -6.386 0.212 1.00 0.55 C ATOM 0 H LEU A 16 -10.705 -6.858 -2.877 1.00 0.16 H new ATOM 0 HA LEU A 16 -8.362 -8.217 -3.664 1.00 0.18 H new ATOM 0 HB2 LEU A 16 -8.397 -8.809 -1.119 1.00 0.24 H new ATOM 0 HB3 LEU A 16 -8.110 -7.166 -1.658 1.00 0.24 H new ATOM 0 HG LEU A 16 -10.782 -7.041 -1.392 1.00 0.40 H new ATOM 0 HD11 LEU A 16 -11.457 -8.262 0.638 1.00 0.53 H new ATOM 0 HD12 LEU A 16 -11.009 -9.371 -0.681 1.00 0.53 H new ATOM 0 HD13 LEU A 16 -9.879 -9.084 0.664 1.00 0.53 H new ATOM 0 HD21 LEU A 16 -10.383 -6.050 0.824 1.00 0.55 H new ATOM 0 HD22 LEU A 16 -8.763 -6.786 0.857 1.00 0.55 H new ATOM 0 HD23 LEU A 16 -9.152 -5.544 -0.358 1.00 0.55 H new ATOM 263 N THR A 17 -10.939 -10.087 -2.927 1.00 0.19 N ATOM 264 CA THR A 17 -11.438 -11.455 -2.971 1.00 0.20 C ATOM 265 C THR A 17 -11.035 -12.104 -4.289 1.00 0.21 C ATOM 266 O THR A 17 -10.530 -13.226 -4.314 1.00 0.22 O ATOM 267 CB THR A 17 -12.973 -11.506 -2.815 1.00 0.22 C ATOM 268 OG1 THR A 17 -13.331 -11.278 -1.446 1.00 0.24 O ATOM 269 CG2 THR A 17 -13.530 -12.848 -3.267 1.00 0.27 C ATOM 0 H THR A 17 -11.656 -9.378 -2.774 1.00 0.19 H new ATOM 0 HA THR A 17 -10.998 -12.001 -2.137 1.00 0.20 H new ATOM 0 HB THR A 17 -13.401 -10.726 -3.445 1.00 0.22 H new ATOM 0 HG1 THR A 17 -13.066 -10.371 -1.185 1.00 0.24 H new ATOM 0 HG21 THR A 17 -14.613 -12.852 -3.145 1.00 0.27 H new ATOM 0 HG22 THR A 17 -13.283 -13.010 -4.316 1.00 0.27 H new ATOM 0 HG23 THR A 17 -13.094 -13.645 -2.664 1.00 0.27 H new ATOM 277 N GLU A 18 -11.263 -11.385 -5.381 1.00 0.21 N ATOM 278 CA GLU A 18 -10.895 -11.872 -6.703 1.00 0.22 C ATOM 279 C GLU A 18 -9.381 -11.798 -6.880 1.00 0.21 C ATOM 280 O GLU A 18 -8.781 -12.620 -7.573 1.00 0.24 O ATOM 281 CB GLU A 18 -11.597 -11.053 -7.790 1.00 0.23 C ATOM 282 CG GLU A 18 -11.231 -11.473 -9.204 1.00 1.25 C ATOM 283 CD GLU A 18 -11.999 -10.699 -10.258 1.00 1.71 C ATOM 284 OE1 GLU A 18 -13.098 -11.152 -10.642 1.00 2.47 O ATOM 285 OE2 GLU A 18 -11.503 -9.641 -10.698 1.00 2.02 O ATOM 0 H GLU A 18 -11.701 -10.464 -5.377 1.00 0.21 H new ATOM 0 HA GLU A 18 -11.213 -12.910 -6.796 1.00 0.22 H new ATOM 0 HB2 GLU A 18 -12.676 -11.144 -7.661 1.00 0.23 H new ATOM 0 HB3 GLU A 18 -11.348 -10.000 -7.657 1.00 0.23 H new ATOM 0 HG2 GLU A 18 -10.162 -11.326 -9.358 1.00 1.25 H new ATOM 0 HG3 GLU A 18 -11.427 -12.538 -9.325 1.00 1.25 H new ATOM 292 N ASN A 19 -8.775 -10.799 -6.243 1.00 0.19 N ATOM 293 CA ASN A 19 -7.332 -10.594 -6.310 1.00 0.19 C ATOM 294 C ASN A 19 -6.567 -11.811 -5.792 1.00 0.21 C ATOM 295 O ASN A 19 -5.414 -12.025 -6.160 1.00 0.22 O ATOM 296 CB ASN A 19 -6.931 -9.362 -5.497 1.00 0.17 C ATOM 297 CG ASN A 19 -5.501 -9.458 -5.018 1.00 0.16 C ATOM 298 OD1 ASN A 19 -5.309 -10.150 -3.901 1.00 0.22 O flip ATOM 299 ND2 ASN A 19 -4.585 -8.930 -5.646 1.00 0.18 N flip ATOM 0 H ASN A 19 -9.267 -10.114 -5.670 1.00 0.19 H new ATOM 0 HA ASN A 19 -7.073 -10.444 -7.358 1.00 0.19 H new ATOM 0 HB2 ASN A 19 -7.053 -8.467 -6.107 1.00 0.17 H new ATOM 0 HB3 ASN A 19 -7.597 -9.257 -4.640 1.00 0.17 H new ATOM 0 HD21 ASN A 19 -4.786 -8.409 -6.499 1.00 0.18 H new ATOM 0 HD22 ASN A 19 -3.624 -9.013 -5.314 1.00 0.18 H new ATOM 306 N LYS A 20 -7.205 -12.587 -4.919 1.00 0.23 N ATOM 307 CA LYS A 20 -6.584 -13.782 -4.350 1.00 0.26 C ATOM 308 C LYS A 20 -5.918 -14.637 -5.427 1.00 0.27 C ATOM 309 O LYS A 20 -5.050 -15.458 -5.130 1.00 0.29 O ATOM 310 CB LYS A 20 -7.624 -14.610 -3.595 1.00 0.29 C ATOM 311 CG LYS A 20 -8.167 -13.917 -2.356 1.00 1.04 C ATOM 312 CD LYS A 20 -9.371 -14.651 -1.793 1.00 1.41 C ATOM 313 CE LYS A 20 -9.857 -14.019 -0.497 1.00 1.75 C ATOM 314 NZ LYS A 20 -11.059 -14.713 0.043 1.00 2.45 N ATOM 0 H LYS A 20 -8.154 -12.410 -4.589 1.00 0.23 H new ATOM 0 HA LYS A 20 -5.810 -13.454 -3.656 1.00 0.26 H new ATOM 0 HB2 LYS A 20 -8.452 -14.838 -4.266 1.00 0.29 H new ATOM 0 HB3 LYS A 20 -7.178 -15.561 -3.304 1.00 0.29 H new ATOM 0 HG2 LYS A 20 -7.386 -13.860 -1.597 1.00 1.04 H new ATOM 0 HG3 LYS A 20 -8.446 -12.893 -2.603 1.00 1.04 H new ATOM 0 HD2 LYS A 20 -10.177 -14.644 -2.526 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -9.111 -15.694 -1.614 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -9.058 -14.049 0.243 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -10.092 -12.969 -0.671 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.359 -14.252 0.926 1.00 2.45 H new ATOM 0 HZ2 LYS A 20 -11.830 -14.663 -0.653 1.00 2.45 H new ATOM 0 HZ3 LYS A 20 -10.828 -15.709 0.233 1.00 2.45 H new ATOM 328 N ASN A 21 -6.329 -14.441 -6.677 1.00 0.27 N ATOM 329 CA ASN A 21 -5.779 -15.202 -7.791 1.00 0.30 C ATOM 330 C ASN A 21 -4.324 -14.823 -8.046 1.00 0.28 C ATOM 331 O ASN A 21 -3.502 -15.674 -8.388 1.00 0.31 O ATOM 332 CB ASN A 21 -6.612 -14.970 -9.052 1.00 0.33 C ATOM 333 CG ASN A 21 -8.022 -15.502 -8.906 1.00 0.35 C ATOM 334 OD1 ASN A 21 -8.575 -15.389 -7.702 1.00 0.40 O flip ATOM 335 ND2 ASN A 21 -8.613 -16.002 -9.864 1.00 0.34 N flip ATOM 0 H ASN A 21 -7.041 -13.761 -6.942 1.00 0.27 H new ATOM 0 HA ASN A 21 -5.815 -16.260 -7.530 1.00 0.30 H new ATOM 0 HB2 ASN A 21 -6.648 -13.903 -9.271 1.00 0.33 H new ATOM 0 HB3 ASN A 21 -6.128 -15.454 -9.900 1.00 0.33 H new ATOM 0 HD21 ASN A 21 -8.150 -16.069 -10.770 1.00 0.34 H new ATOM 0 HD22 ASN A 21 -9.565 -16.349 -9.751 1.00 0.34 H new ATOM 342 N LYS A 22 -4.017 -13.539 -7.882 1.00 0.25 N ATOM 343 CA LYS A 22 -2.659 -13.037 -8.072 1.00 0.24 C ATOM 344 C LYS A 22 -1.664 -13.887 -7.278 1.00 0.24 C ATOM 345 O LYS A 22 -1.753 -13.963 -6.056 1.00 0.23 O ATOM 346 CB LYS A 22 -2.575 -11.573 -7.618 1.00 0.26 C ATOM 347 CG LYS A 22 -3.139 -10.572 -8.622 1.00 0.41 C ATOM 348 CD LYS A 22 -4.576 -10.887 -9.007 1.00 1.16 C ATOM 349 CE LYS A 22 -5.139 -9.837 -9.951 1.00 1.03 C ATOM 350 NZ LYS A 22 -4.343 -9.732 -11.204 1.00 1.40 N ATOM 0 H LYS A 22 -4.694 -12.824 -7.617 1.00 0.25 H new ATOM 0 HA LYS A 22 -2.407 -13.098 -9.131 1.00 0.24 H new ATOM 0 HB2 LYS A 22 -3.111 -11.466 -6.675 1.00 0.26 H new ATOM 0 HB3 LYS A 22 -1.532 -11.325 -7.422 1.00 0.26 H new ATOM 0 HG2 LYS A 22 -3.091 -9.569 -8.198 1.00 0.41 H new ATOM 0 HG3 LYS A 22 -2.518 -10.570 -9.517 1.00 0.41 H new ATOM 0 HD2 LYS A 22 -4.621 -11.867 -9.482 1.00 1.16 H new ATOM 0 HD3 LYS A 22 -5.192 -10.939 -8.109 1.00 1.16 H new ATOM 0 HE2 LYS A 22 -6.171 -10.086 -10.197 1.00 1.03 H new ATOM 0 HE3 LYS A 22 -5.155 -8.869 -9.449 1.00 1.03 H new ATOM 0 HZ1 LYS A 22 -4.865 -9.162 -11.900 1.00 1.40 H new ATOM 0 HZ2 LYS A 22 -3.431 -9.277 -10.999 1.00 1.40 H new ATOM 0 HZ3 LYS A 22 -4.177 -10.683 -11.590 1.00 1.40 H new ATOM 364 N PRO A 23 -0.704 -14.541 -7.955 1.00 0.29 N ATOM 365 CA PRO A 23 0.290 -15.387 -7.286 1.00 0.33 C ATOM 366 C PRO A 23 1.086 -14.632 -6.226 1.00 0.33 C ATOM 367 O PRO A 23 1.343 -13.437 -6.366 1.00 0.34 O ATOM 368 CB PRO A 23 1.214 -15.844 -8.425 1.00 0.42 C ATOM 369 CG PRO A 23 0.942 -14.906 -9.552 1.00 0.65 C ATOM 370 CD PRO A 23 -0.496 -14.503 -9.412 1.00 0.35 C ATOM 0 HA PRO A 23 -0.184 -16.210 -6.751 1.00 0.33 H new ATOM 0 HB2 PRO A 23 2.261 -15.803 -8.123 1.00 0.42 H new ATOM 0 HB3 PRO A 23 1.005 -16.875 -8.712 1.00 0.42 H new ATOM 0 HG2 PRO A 23 1.598 -14.037 -9.504 1.00 0.65 H new ATOM 0 HG3 PRO A 23 1.121 -15.388 -10.513 1.00 0.65 H new ATOM 0 HD2 PRO A 23 -0.679 -13.510 -9.821 1.00 0.35 H new ATOM 0 HD3 PRO A 23 -1.162 -15.191 -9.934 1.00 0.35 H new ATOM 378 N GLY A 24 1.469 -15.337 -5.167 1.00 0.34 N ATOM 379 CA GLY A 24 2.249 -14.724 -4.106 1.00 0.37 C ATOM 380 C GLY A 24 1.409 -14.070 -3.021 1.00 0.33 C ATOM 381 O GLY A 24 1.959 -13.460 -2.105 1.00 0.36 O ATOM 0 H GLY A 24 1.253 -16.324 -5.024 1.00 0.34 H new ATOM 0 HA2 GLY A 24 2.885 -15.484 -3.651 1.00 0.37 H new ATOM 0 HA3 GLY A 24 2.910 -13.974 -4.541 1.00 0.37 H new ATOM 385 N VAL A 25 0.086 -14.185 -3.113 1.00 0.29 N ATOM 386 CA VAL A 25 -0.791 -13.591 -2.103 1.00 0.29 C ATOM 387 C VAL A 25 -0.418 -14.083 -0.710 1.00 0.26 C ATOM 388 O VAL A 25 -0.681 -15.231 -0.351 1.00 0.31 O ATOM 389 CB VAL A 25 -2.281 -13.902 -2.364 1.00 0.35 C ATOM 390 CG1 VAL A 25 -3.126 -13.581 -1.137 1.00 0.91 C ATOM 391 CG2 VAL A 25 -2.786 -13.125 -3.567 1.00 0.81 C ATOM 0 H VAL A 25 -0.398 -14.676 -3.864 1.00 0.29 H new ATOM 0 HA VAL A 25 -0.651 -12.512 -2.167 1.00 0.29 H new ATOM 0 HB VAL A 25 -2.371 -14.968 -2.574 1.00 0.35 H new ATOM 0 HG11 VAL A 25 -4.171 -13.808 -1.346 1.00 0.91 H new ATOM 0 HG12 VAL A 25 -2.785 -14.181 -0.293 1.00 0.91 H new ATOM 0 HG13 VAL A 25 -3.026 -12.523 -0.893 1.00 0.91 H new ATOM 0 HG21 VAL A 25 -3.838 -13.357 -3.735 1.00 0.81 H new ATOM 0 HG22 VAL A 25 -2.675 -12.056 -3.382 1.00 0.81 H new ATOM 0 HG23 VAL A 25 -2.208 -13.403 -4.448 1.00 0.81 H new ATOM 401 N VAL A 26 0.203 -13.205 0.067 1.00 0.24 N ATOM 402 CA VAL A 26 0.619 -13.542 1.421 1.00 0.27 C ATOM 403 C VAL A 26 0.172 -12.474 2.416 1.00 0.25 C ATOM 404 O VAL A 26 0.447 -11.288 2.237 1.00 0.25 O ATOM 405 CB VAL A 26 2.148 -13.717 1.505 1.00 0.31 C ATOM 406 CG1 VAL A 26 2.857 -12.537 0.864 1.00 0.77 C ATOM 407 CG2 VAL A 26 2.597 -13.900 2.950 1.00 1.03 C ATOM 0 H VAL A 26 0.430 -12.252 -0.219 1.00 0.24 H new ATOM 0 HA VAL A 26 0.141 -14.487 1.680 1.00 0.27 H new ATOM 0 HB VAL A 26 2.418 -14.618 0.954 1.00 0.31 H new ATOM 0 HG11 VAL A 26 3.935 -12.679 0.933 1.00 0.77 H new ATOM 0 HG12 VAL A 26 2.567 -12.464 -0.184 1.00 0.77 H new ATOM 0 HG13 VAL A 26 2.578 -11.620 1.382 1.00 0.77 H new ATOM 0 HG21 VAL A 26 3.680 -14.021 2.982 1.00 1.03 H new ATOM 0 HG22 VAL A 26 2.313 -13.024 3.533 1.00 1.03 H new ATOM 0 HG23 VAL A 26 2.120 -14.786 3.370 1.00 1.03 H new ATOM 417 N VAL A 27 -0.521 -12.906 3.463 1.00 0.29 N ATOM 418 CA VAL A 27 -1.002 -11.993 4.492 1.00 0.29 C ATOM 419 C VAL A 27 0.116 -11.645 5.473 1.00 0.31 C ATOM 420 O VAL A 27 0.938 -12.496 5.814 1.00 0.35 O ATOM 421 CB VAL A 27 -2.188 -12.600 5.268 1.00 0.35 C ATOM 422 CG1 VAL A 27 -1.806 -13.948 5.860 1.00 0.71 C ATOM 423 CG2 VAL A 27 -2.663 -11.647 6.356 1.00 0.91 C ATOM 0 H VAL A 27 -0.762 -13.884 3.622 1.00 0.29 H new ATOM 0 HA VAL A 27 -1.337 -11.086 3.989 1.00 0.29 H new ATOM 0 HB VAL A 27 -3.011 -12.755 4.570 1.00 0.35 H new ATOM 0 HG11 VAL A 27 -2.656 -14.361 6.404 1.00 0.71 H new ATOM 0 HG12 VAL A 27 -1.522 -14.630 5.059 1.00 0.71 H new ATOM 0 HG13 VAL A 27 -0.966 -13.821 6.542 1.00 0.71 H new ATOM 0 HG21 VAL A 27 -3.500 -12.094 6.892 1.00 0.91 H new ATOM 0 HG22 VAL A 27 -1.847 -11.455 7.053 1.00 0.91 H new ATOM 0 HG23 VAL A 27 -2.982 -10.708 5.903 1.00 0.91 H new ATOM 433 N LEU A 28 0.142 -10.393 5.923 1.00 0.32 N ATOM 434 CA LEU A 28 1.164 -9.944 6.863 1.00 0.36 C ATOM 435 C LEU A 28 0.601 -9.880 8.282 1.00 0.40 C ATOM 436 O LEU A 28 -0.608 -10.002 8.471 1.00 0.38 O ATOM 437 CB LEU A 28 1.700 -8.567 6.446 1.00 0.35 C ATOM 438 CG LEU A 28 2.484 -8.539 5.132 1.00 0.33 C ATOM 439 CD1 LEU A 28 3.033 -7.146 4.868 1.00 0.37 C ATOM 440 CD2 LEU A 28 3.617 -9.557 5.159 1.00 0.38 C ATOM 0 H LEU A 28 -0.530 -9.675 5.653 1.00 0.32 H new ATOM 0 HA LEU A 28 1.983 -10.663 6.848 1.00 0.36 H new ATOM 0 HB2 LEU A 28 0.859 -7.879 6.363 1.00 0.35 H new ATOM 0 HB3 LEU A 28 2.343 -8.190 7.241 1.00 0.35 H new ATOM 0 HG LEU A 28 1.802 -8.803 4.324 1.00 0.33 H new ATOM 0 HD11 LEU A 28 3.588 -7.145 3.930 1.00 0.37 H new ATOM 0 HD12 LEU A 28 2.208 -6.436 4.803 1.00 0.37 H new ATOM 0 HD13 LEU A 28 3.697 -6.856 5.682 1.00 0.37 H new ATOM 0 HD21 LEU A 28 4.161 -9.521 4.215 1.00 0.38 H new ATOM 0 HD22 LEU A 28 4.296 -9.324 5.979 1.00 0.38 H new ATOM 0 HD23 LEU A 28 3.205 -10.556 5.302 1.00 0.38 H new ATOM 452 N PRO A 29 1.463 -9.727 9.308 1.00 0.46 N ATOM 453 CA PRO A 29 1.005 -9.628 10.697 1.00 0.51 C ATOM 454 C PRO A 29 -0.082 -8.568 10.860 1.00 0.47 C ATOM 455 O PRO A 29 -0.974 -8.703 11.699 1.00 0.49 O ATOM 456 CB PRO A 29 2.271 -9.231 11.458 1.00 0.59 C ATOM 457 CG PRO A 29 3.384 -9.789 10.641 1.00 0.59 C ATOM 458 CD PRO A 29 2.937 -9.673 9.209 1.00 0.50 C ATOM 0 HA PRO A 29 0.557 -10.555 11.056 1.00 0.51 H new ATOM 0 HB2 PRO A 29 2.353 -8.148 11.555 1.00 0.59 H new ATOM 0 HB3 PRO A 29 2.274 -9.643 12.467 1.00 0.59 H new ATOM 0 HG2 PRO A 29 4.308 -9.236 10.809 1.00 0.59 H new ATOM 0 HG3 PRO A 29 3.582 -10.828 10.906 1.00 0.59 H new ATOM 0 HD2 PRO A 29 3.276 -8.741 8.756 1.00 0.50 H new ATOM 0 HD3 PRO A 29 3.329 -10.486 8.598 1.00 0.50 H new ATOM 466 N SER A 30 -0.005 -7.515 10.046 1.00 0.43 N ATOM 467 CA SER A 30 -0.988 -6.439 10.095 1.00 0.41 C ATOM 468 C SER A 30 -2.194 -6.764 9.218 1.00 0.36 C ATOM 469 O SER A 30 -3.219 -6.088 9.289 1.00 0.36 O ATOM 470 CB SER A 30 -0.363 -5.109 9.666 1.00 0.43 C ATOM 471 OG SER A 30 -1.342 -4.087 9.598 1.00 1.14 O ATOM 0 H SER A 30 0.727 -7.387 9.347 1.00 0.43 H new ATOM 0 HA SER A 30 -1.327 -6.344 11.126 1.00 0.41 H new ATOM 0 HB2 SER A 30 0.416 -4.825 10.373 1.00 0.43 H new ATOM 0 HB3 SER A 30 0.115 -5.225 8.693 1.00 0.43 H new ATOM 0 HG SER A 30 -2.230 -4.491 9.507 1.00 1.14 H new ATOM 477 N GLY A 31 -2.070 -7.808 8.396 1.00 0.34 N ATOM 478 CA GLY A 31 -3.176 -8.213 7.543 1.00 0.31 C ATOM 479 C GLY A 31 -3.016 -7.821 6.083 1.00 0.27 C ATOM 480 O GLY A 31 -3.985 -7.864 5.326 1.00 0.30 O ATOM 0 H GLY A 31 -1.228 -8.377 8.307 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -3.291 -9.295 7.606 1.00 0.31 H new ATOM 0 HA3 GLY A 31 -4.096 -7.772 7.927 1.00 0.31 H new ATOM 484 N LEU A 32 -1.808 -7.446 5.678 1.00 0.25 N ATOM 485 CA LEU A 32 -1.569 -7.027 4.298 1.00 0.25 C ATOM 486 C LEU A 32 -1.312 -8.191 3.349 1.00 0.22 C ATOM 487 O LEU A 32 -0.537 -9.099 3.646 1.00 0.23 O ATOM 488 CB LEU A 32 -0.391 -6.061 4.226 1.00 0.35 C ATOM 489 CG LEU A 32 -0.665 -4.673 4.788 1.00 0.44 C ATOM 490 CD1 LEU A 32 -0.595 -4.697 6.302 1.00 1.19 C ATOM 491 CD2 LEU A 32 0.315 -3.665 4.211 1.00 1.35 C ATOM 0 H LEU A 32 -0.984 -7.423 6.278 1.00 0.25 H new ATOM 0 HA LEU A 32 -2.486 -6.535 3.975 1.00 0.25 H new ATOM 0 HB2 LEU A 32 0.450 -6.496 4.766 1.00 0.35 H new ATOM 0 HB3 LEU A 32 -0.085 -5.961 3.185 1.00 0.35 H new ATOM 0 HG LEU A 32 -1.671 -4.368 4.499 1.00 0.44 H new ATOM 0 HD11 LEU A 32 -0.793 -3.698 6.691 1.00 1.19 H new ATOM 0 HD12 LEU A 32 -1.340 -5.392 6.690 1.00 1.19 H new ATOM 0 HD13 LEU A 32 0.398 -5.018 6.615 1.00 1.19 H new ATOM 0 HD21 LEU A 32 0.106 -2.678 4.623 1.00 1.35 H new ATOM 0 HD22 LEU A 32 1.333 -3.958 4.469 1.00 1.35 H new ATOM 0 HD23 LEU A 32 0.210 -3.636 3.126 1.00 1.35 H new ATOM 503 N GLN A 33 -1.967 -8.132 2.194 1.00 0.23 N ATOM 504 CA GLN A 33 -1.797 -9.129 1.145 1.00 0.22 C ATOM 505 C GLN A 33 -1.154 -8.448 -0.054 1.00 0.21 C ATOM 506 O GLN A 33 -1.468 -7.294 -0.348 1.00 0.21 O ATOM 507 CB GLN A 33 -3.139 -9.744 0.738 1.00 0.26 C ATOM 508 CG GLN A 33 -3.808 -10.562 1.833 1.00 0.33 C ATOM 509 CD GLN A 33 -4.361 -9.702 2.952 1.00 0.98 C ATOM 510 OE1 GLN A 33 -4.718 -8.544 2.744 1.00 1.75 O ATOM 511 NE2 GLN A 33 -4.442 -10.273 4.148 1.00 1.69 N ATOM 0 H GLN A 33 -2.629 -7.393 1.960 1.00 0.23 H new ATOM 0 HA GLN A 33 -1.166 -9.937 1.515 1.00 0.22 H new ATOM 0 HB2 GLN A 33 -3.815 -8.945 0.433 1.00 0.26 H new ATOM 0 HB3 GLN A 33 -2.985 -10.381 -0.133 1.00 0.26 H new ATOM 0 HG2 GLN A 33 -4.617 -11.150 1.399 1.00 0.33 H new ATOM 0 HG3 GLN A 33 -3.087 -11.268 2.245 1.00 0.33 H new ATOM 0 HE21 GLN A 33 -4.134 -11.237 4.275 1.00 1.69 H new ATOM 0 HE22 GLN A 33 -4.812 -9.748 4.940 1.00 1.69 H new ATOM 520 N TYR A 34 -0.261 -9.138 -0.749 1.00 0.20 N ATOM 521 CA TYR A 34 0.414 -8.522 -1.887 1.00 0.19 C ATOM 522 C TYR A 34 0.995 -9.539 -2.862 1.00 0.18 C ATOM 523 O TYR A 34 0.963 -10.747 -2.626 1.00 0.19 O ATOM 524 CB TYR A 34 1.528 -7.605 -1.383 1.00 0.19 C ATOM 525 CG TYR A 34 2.536 -8.300 -0.498 1.00 0.19 C ATOM 526 CD1 TYR A 34 2.256 -8.554 0.838 1.00 0.31 C ATOM 527 CD2 TYR A 34 3.768 -8.702 -0.997 1.00 0.25 C ATOM 528 CE1 TYR A 34 3.173 -9.187 1.650 1.00 0.32 C ATOM 529 CE2 TYR A 34 4.690 -9.337 -0.191 1.00 0.30 C ATOM 530 CZ TYR A 34 4.389 -9.577 1.132 1.00 0.26 C ATOM 531 OH TYR A 34 5.305 -10.211 1.940 1.00 0.31 O ATOM 0 H TYR A 34 0.010 -10.102 -0.554 1.00 0.20 H new ATOM 0 HA TYR A 34 -0.339 -7.953 -2.433 1.00 0.19 H new ATOM 0 HB2 TYR A 34 2.046 -7.174 -2.239 1.00 0.19 H new ATOM 0 HB3 TYR A 34 1.083 -6.778 -0.831 1.00 0.19 H new ATOM 0 HD1 TYR A 34 1.304 -8.251 1.248 1.00 0.31 H new ATOM 0 HD2 TYR A 34 4.008 -8.514 -2.033 1.00 0.25 H new ATOM 0 HE1 TYR A 34 2.939 -9.376 2.687 1.00 0.32 H new ATOM 0 HE2 TYR A 34 5.643 -9.645 -0.595 1.00 0.30 H new ATOM 0 HH TYR A 34 6.161 -9.736 1.899 1.00 0.31 H new ATOM 541 N LYS A 35 1.530 -9.014 -3.963 1.00 0.18 N ATOM 542 CA LYS A 35 2.148 -9.830 -5.003 1.00 0.20 C ATOM 543 C LYS A 35 3.596 -9.385 -5.209 1.00 0.18 C ATOM 544 O LYS A 35 3.862 -8.249 -5.602 1.00 0.19 O ATOM 545 CB LYS A 35 1.353 -9.698 -6.308 1.00 0.27 C ATOM 546 CG LYS A 35 1.802 -10.649 -7.408 1.00 0.35 C ATOM 547 CD LYS A 35 2.760 -9.974 -8.376 1.00 0.99 C ATOM 548 CE LYS A 35 3.169 -10.916 -9.499 1.00 1.58 C ATOM 549 NZ LYS A 35 4.038 -10.242 -10.502 1.00 2.15 N ATOM 0 H LYS A 35 1.547 -8.013 -4.158 1.00 0.18 H new ATOM 0 HA LYS A 35 2.142 -10.876 -4.698 1.00 0.20 H new ATOM 0 HB2 LYS A 35 0.298 -9.875 -6.098 1.00 0.27 H new ATOM 0 HB3 LYS A 35 1.438 -8.674 -6.671 1.00 0.27 H new ATOM 0 HG2 LYS A 35 2.286 -11.518 -6.963 1.00 0.35 H new ATOM 0 HG3 LYS A 35 0.931 -11.014 -7.952 1.00 0.35 H new ATOM 0 HD2 LYS A 35 2.289 -9.086 -8.797 1.00 0.99 H new ATOM 0 HD3 LYS A 35 3.647 -9.639 -7.838 1.00 0.99 H new ATOM 0 HE2 LYS A 35 3.696 -11.773 -9.080 1.00 1.58 H new ATOM 0 HE3 LYS A 35 2.277 -11.301 -9.993 1.00 1.58 H new ATOM 0 HZ1 LYS A 35 4.294 -10.918 -11.250 1.00 2.15 H new ATOM 0 HZ2 LYS A 35 3.526 -9.440 -10.921 1.00 2.15 H new ATOM 0 HZ3 LYS A 35 4.902 -9.897 -10.037 1.00 2.15 H new ATOM 563 N VAL A 36 4.523 -10.299 -4.938 1.00 0.19 N ATOM 564 CA VAL A 36 5.954 -10.021 -5.042 1.00 0.19 C ATOM 565 C VAL A 36 6.469 -10.021 -6.478 1.00 0.22 C ATOM 566 O VAL A 36 6.276 -10.980 -7.225 1.00 0.28 O ATOM 567 CB VAL A 36 6.769 -11.042 -4.228 1.00 0.25 C ATOM 568 CG1 VAL A 36 8.258 -10.759 -4.343 1.00 0.26 C ATOM 569 CG2 VAL A 36 6.327 -11.031 -2.775 1.00 0.30 C ATOM 0 H VAL A 36 4.306 -11.250 -4.641 1.00 0.19 H new ATOM 0 HA VAL A 36 6.086 -9.016 -4.640 1.00 0.19 H new ATOM 0 HB VAL A 36 6.584 -12.036 -4.636 1.00 0.25 H new ATOM 0 HG11 VAL A 36 8.814 -11.493 -3.760 1.00 0.26 H new ATOM 0 HG12 VAL A 36 8.561 -10.822 -5.388 1.00 0.26 H new ATOM 0 HG13 VAL A 36 8.469 -9.759 -3.964 1.00 0.26 H new ATOM 0 HG21 VAL A 36 6.912 -11.758 -2.211 1.00 0.30 H new ATOM 0 HG22 VAL A 36 6.481 -10.037 -2.355 1.00 0.30 H new ATOM 0 HG23 VAL A 36 5.270 -11.290 -2.714 1.00 0.30 H new ATOM 579 N ILE A 37 7.128 -8.924 -6.849 1.00 0.22 N ATOM 580 CA ILE A 37 7.718 -8.785 -8.175 1.00 0.26 C ATOM 581 C ILE A 37 9.226 -9.040 -8.103 1.00 0.25 C ATOM 582 O ILE A 37 9.724 -10.014 -8.666 1.00 0.30 O ATOM 583 CB ILE A 37 7.459 -7.385 -8.769 1.00 0.29 C ATOM 584 CG1 ILE A 37 5.954 -7.115 -8.851 1.00 0.31 C ATOM 585 CG2 ILE A 37 8.101 -7.267 -10.145 1.00 0.37 C ATOM 586 CD1 ILE A 37 5.609 -5.684 -9.209 1.00 0.65 C ATOM 0 H ILE A 37 7.266 -8.115 -6.244 1.00 0.22 H new ATOM 0 HA ILE A 37 7.248 -9.521 -8.827 1.00 0.26 H new ATOM 0 HB ILE A 37 7.909 -6.638 -8.115 1.00 0.29 H new ATOM 0 HG12 ILE A 37 5.514 -7.782 -9.593 1.00 0.31 H new ATOM 0 HG13 ILE A 37 5.497 -7.360 -7.892 1.00 0.31 H new ATOM 0 HG21 ILE A 37 7.910 -6.274 -10.552 1.00 0.37 H new ATOM 0 HG22 ILE A 37 9.176 -7.423 -10.059 1.00 0.37 H new ATOM 0 HG23 ILE A 37 7.677 -8.019 -10.810 1.00 0.37 H new ATOM 0 HD11 ILE A 37 4.526 -5.570 -9.248 1.00 0.65 H new ATOM 0 HD12 ILE A 37 6.018 -5.012 -8.455 1.00 0.65 H new ATOM 0 HD13 ILE A 37 6.035 -5.440 -10.182 1.00 0.65 H new ATOM 598 N ASN A 38 9.945 -8.155 -7.409 1.00 0.21 N ATOM 599 CA ASN A 38 11.388 -8.299 -7.239 1.00 0.22 C ATOM 600 C ASN A 38 11.759 -8.162 -5.763 1.00 0.29 C ATOM 601 O ASN A 38 11.933 -7.053 -5.261 1.00 0.44 O ATOM 602 CB ASN A 38 12.130 -7.245 -8.064 1.00 0.31 C ATOM 603 CG ASN A 38 13.634 -7.331 -7.889 1.00 0.40 C ATOM 604 OD1 ASN A 38 14.187 -8.413 -7.691 1.00 1.03 O ATOM 605 ND2 ASN A 38 14.303 -6.186 -7.951 1.00 0.56 N ATOM 0 H ASN A 38 9.549 -7.331 -6.956 1.00 0.21 H new ATOM 0 HA ASN A 38 11.682 -9.288 -7.589 1.00 0.22 H new ATOM 0 HB2 ASN A 38 11.881 -7.370 -9.118 1.00 0.31 H new ATOM 0 HB3 ASN A 38 11.789 -6.252 -7.772 1.00 0.31 H new ATOM 0 HD21 ASN A 38 15.316 -6.180 -7.833 1.00 0.56 H new ATOM 0 HD22 ASN A 38 13.804 -5.312 -8.117 1.00 0.56 H new ATOM 612 N SER A 39 11.881 -9.293 -5.072 1.00 0.28 N ATOM 613 CA SER A 39 12.206 -9.290 -3.646 1.00 0.37 C ATOM 614 C SER A 39 13.651 -9.699 -3.382 1.00 0.29 C ATOM 615 O SER A 39 14.215 -10.532 -4.091 1.00 0.33 O ATOM 616 CB SER A 39 11.267 -10.229 -2.891 1.00 0.58 C ATOM 617 OG SER A 39 11.337 -11.545 -3.412 1.00 1.50 O ATOM 0 H SER A 39 11.760 -10.222 -5.475 1.00 0.28 H new ATOM 0 HA SER A 39 12.078 -8.268 -3.291 1.00 0.37 H new ATOM 0 HB2 SER A 39 11.530 -10.239 -1.833 1.00 0.58 H new ATOM 0 HB3 SER A 39 10.244 -9.860 -2.962 1.00 0.58 H new ATOM 0 HG SER A 39 10.729 -12.128 -2.911 1.00 1.50 H new ATOM 623 N GLY A 40 14.242 -9.098 -2.350 1.00 0.34 N ATOM 624 CA GLY A 40 15.609 -9.413 -1.980 1.00 0.36 C ATOM 625 C GLY A 40 16.631 -8.853 -2.945 1.00 0.50 C ATOM 626 O GLY A 40 16.828 -9.395 -4.033 1.00 1.09 O ATOM 0 H GLY A 40 13.794 -8.395 -1.762 1.00 0.34 H new ATOM 0 HA2 GLY A 40 15.808 -9.022 -0.982 1.00 0.36 H new ATOM 0 HA3 GLY A 40 15.724 -10.496 -1.927 1.00 0.36 H new ATOM 630 N ASN A 41 17.285 -7.765 -2.545 1.00 0.42 N ATOM 631 CA ASN A 41 18.299 -7.137 -3.382 1.00 0.47 C ATOM 632 C ASN A 41 19.336 -6.399 -2.533 1.00 0.37 C ATOM 633 O ASN A 41 20.409 -6.931 -2.249 1.00 0.36 O ATOM 634 CB ASN A 41 17.650 -6.174 -4.386 1.00 0.60 C ATOM 635 CG ASN A 41 16.740 -6.881 -5.369 1.00 0.82 C ATOM 636 OD1 ASN A 41 15.448 -6.902 -5.064 1.00 1.70 O flip ATOM 637 ND2 ASN A 41 17.189 -7.392 -6.395 1.00 0.66 N flip ATOM 0 H ASN A 41 17.130 -7.303 -1.649 1.00 0.42 H new ATOM 0 HA ASN A 41 18.811 -7.925 -3.934 1.00 0.47 H new ATOM 0 HB2 ASN A 41 17.078 -5.422 -3.844 1.00 0.60 H new ATOM 0 HB3 ASN A 41 18.431 -5.647 -4.934 1.00 0.60 H new ATOM 0 HD21 ASN A 41 18.190 -7.352 -6.589 1.00 0.66 H new ATOM 0 HD22 ASN A 41 16.560 -7.855 -7.051 1.00 0.66 H new ATOM 644 N GLY A 42 19.008 -5.172 -2.131 1.00 0.35 N ATOM 645 CA GLY A 42 19.924 -4.370 -1.336 1.00 0.33 C ATOM 646 C GLY A 42 19.743 -4.540 0.163 1.00 0.33 C ATOM 647 O GLY A 42 18.821 -5.213 0.621 1.00 0.34 O ATOM 0 H GLY A 42 18.120 -4.718 -2.343 1.00 0.35 H new ATOM 0 HA2 GLY A 42 20.948 -4.634 -1.601 1.00 0.33 H new ATOM 0 HA3 GLY A 42 19.789 -3.319 -1.592 1.00 0.33 H new ATOM 651 N VAL A 43 20.643 -3.914 0.916 1.00 0.32 N ATOM 652 CA VAL A 43 20.627 -3.939 2.368 1.00 0.32 C ATOM 653 C VAL A 43 19.652 -2.898 2.907 1.00 0.29 C ATOM 654 O VAL A 43 19.101 -2.117 2.131 1.00 0.28 O ATOM 655 CB VAL A 43 22.026 -3.662 2.929 1.00 0.36 C ATOM 656 CG1 VAL A 43 23.000 -4.748 2.500 1.00 1.36 C ATOM 657 CG2 VAL A 43 22.509 -2.294 2.484 1.00 1.42 C ATOM 0 H VAL A 43 21.412 -3.369 0.526 1.00 0.32 H new ATOM 0 HA VAL A 43 20.306 -4.932 2.684 1.00 0.32 H new ATOM 0 HB VAL A 43 21.973 -3.670 4.018 1.00 0.36 H new ATOM 0 HG11 VAL A 43 23.987 -4.533 2.908 1.00 1.36 H new ATOM 0 HG12 VAL A 43 22.656 -5.713 2.872 1.00 1.36 H new ATOM 0 HG13 VAL A 43 23.056 -4.777 1.412 1.00 1.36 H new ATOM 0 HG21 VAL A 43 23.504 -2.110 2.889 1.00 1.42 H new ATOM 0 HG22 VAL A 43 22.548 -2.258 1.395 1.00 1.42 H new ATOM 0 HG23 VAL A 43 21.822 -1.530 2.847 1.00 1.42 H new ATOM 667 N LYS A 44 19.480 -2.861 4.236 1.00 0.29 N ATOM 668 CA LYS A 44 18.555 -1.914 4.877 1.00 0.28 C ATOM 669 C LYS A 44 18.251 -2.291 6.333 1.00 0.29 C ATOM 670 O LYS A 44 18.375 -3.448 6.737 1.00 0.32 O ATOM 671 CB LYS A 44 17.215 -1.868 4.119 1.00 0.29 C ATOM 672 CG LYS A 44 16.282 -3.035 4.428 1.00 0.39 C ATOM 673 CD LYS A 44 16.882 -4.371 4.013 1.00 1.17 C ATOM 674 CE LYS A 44 16.096 -5.538 4.587 1.00 1.63 C ATOM 675 NZ LYS A 44 14.667 -5.508 4.168 1.00 2.18 N ATOM 0 H LYS A 44 19.968 -3.475 4.888 1.00 0.29 H new ATOM 0 HA LYS A 44 19.051 -0.944 4.853 1.00 0.28 H new ATOM 0 HB2 LYS A 44 16.705 -0.936 4.361 1.00 0.29 H new ATOM 0 HB3 LYS A 44 17.417 -1.852 3.048 1.00 0.29 H new ATOM 0 HG2 LYS A 44 16.064 -3.052 5.496 1.00 0.39 H new ATOM 0 HG3 LYS A 44 15.334 -2.887 3.911 1.00 0.39 H new ATOM 0 HD2 LYS A 44 16.898 -4.442 2.925 1.00 1.17 H new ATOM 0 HD3 LYS A 44 17.917 -4.427 4.351 1.00 1.17 H new ATOM 0 HE2 LYS A 44 16.549 -6.475 4.263 1.00 1.63 H new ATOM 0 HE3 LYS A 44 16.155 -5.515 5.675 1.00 1.63 H new ATOM 0 HZ1 LYS A 44 14.062 -5.734 4.983 1.00 2.18 H new ATOM 0 HZ2 LYS A 44 14.429 -4.560 3.813 1.00 2.18 H new ATOM 0 HZ3 LYS A 44 14.511 -6.209 3.416 1.00 2.18 H new ATOM 689 N PRO A 45 17.843 -1.278 7.127 1.00 0.29 N ATOM 690 CA PRO A 45 17.493 -1.407 8.541 1.00 0.30 C ATOM 691 C PRO A 45 16.044 -1.830 8.770 1.00 0.30 C ATOM 692 O PRO A 45 15.248 -1.915 7.834 1.00 0.29 O ATOM 693 CB PRO A 45 17.727 0.000 9.116 1.00 0.27 C ATOM 694 CG PRO A 45 18.081 0.879 7.957 1.00 0.30 C ATOM 695 CD PRO A 45 17.720 0.123 6.709 1.00 0.30 C ATOM 0 HA PRO A 45 18.091 -2.185 9.016 1.00 0.30 H new ATOM 0 HB2 PRO A 45 16.833 0.366 9.622 1.00 0.27 H new ATOM 0 HB3 PRO A 45 18.529 -0.011 9.854 1.00 0.27 H new ATOM 0 HG2 PRO A 45 17.537 1.822 8.008 1.00 0.30 H new ATOM 0 HG3 PRO A 45 19.143 1.122 7.967 1.00 0.30 H new ATOM 0 HD2 PRO A 45 16.710 0.357 6.373 1.00 0.30 H new ATOM 0 HD3 PRO A 45 18.393 0.359 5.885 1.00 0.30 H new ATOM 703 N GLY A 46 15.723 -2.090 10.033 1.00 0.32 N ATOM 704 CA GLY A 46 14.385 -2.505 10.418 1.00 0.35 C ATOM 705 C GLY A 46 13.383 -1.382 10.238 1.00 0.33 C ATOM 706 O GLY A 46 13.712 -0.365 9.644 1.00 0.28 O ATOM 0 H GLY A 46 16.379 -2.019 10.811 1.00 0.32 H new ATOM 0 HA2 GLY A 46 14.082 -3.364 9.819 1.00 0.35 H new ATOM 0 HA3 GLY A 46 14.388 -2.828 11.459 1.00 0.35 H new ATOM 710 N LYS A 47 12.151 -1.590 10.705 1.00 0.37 N ATOM 711 CA LYS A 47 11.068 -0.604 10.562 1.00 0.37 C ATOM 712 C LYS A 47 11.513 0.846 10.814 1.00 0.34 C ATOM 713 O LYS A 47 10.775 1.779 10.497 1.00 0.35 O ATOM 714 CB LYS A 47 9.919 -0.957 11.511 1.00 0.44 C ATOM 715 CG LYS A 47 10.346 -1.089 12.964 1.00 0.99 C ATOM 716 CD LYS A 47 9.180 -1.488 13.853 1.00 0.94 C ATOM 717 CE LYS A 47 9.623 -1.697 15.293 1.00 1.85 C ATOM 718 NZ LYS A 47 10.661 -2.758 15.405 1.00 2.35 N ATOM 0 H LYS A 47 11.872 -2.442 11.192 1.00 0.37 H new ATOM 0 HA LYS A 47 10.743 -0.654 9.523 1.00 0.37 H new ATOM 0 HB2 LYS A 47 9.149 -0.190 11.436 1.00 0.44 H new ATOM 0 HB3 LYS A 47 9.467 -1.895 11.188 1.00 0.44 H new ATOM 0 HG2 LYS A 47 11.138 -1.833 13.045 1.00 0.99 H new ATOM 0 HG3 LYS A 47 10.761 -0.142 13.310 1.00 0.99 H new ATOM 0 HD2 LYS A 47 8.412 -0.715 13.816 1.00 0.94 H new ATOM 0 HD3 LYS A 47 8.729 -2.405 13.473 1.00 0.94 H new ATOM 0 HE2 LYS A 47 10.015 -0.761 15.692 1.00 1.85 H new ATOM 0 HE3 LYS A 47 8.761 -1.967 15.903 1.00 1.85 H new ATOM 0 HZ1 LYS A 47 10.730 -3.073 16.394 1.00 2.35 H new ATOM 0 HZ2 LYS A 47 10.400 -3.564 14.802 1.00 2.35 H new ATOM 0 HZ3 LYS A 47 11.579 -2.379 15.098 1.00 2.35 H new ATOM 732 N SER A 48 12.696 1.043 11.385 1.00 0.31 N ATOM 733 CA SER A 48 13.205 2.394 11.624 1.00 0.31 C ATOM 734 C SER A 48 13.931 2.904 10.377 1.00 0.27 C ATOM 735 O SER A 48 14.562 3.962 10.388 1.00 0.29 O ATOM 736 CB SER A 48 14.148 2.408 12.829 1.00 0.32 C ATOM 737 OG SER A 48 13.491 1.948 13.998 1.00 1.45 O ATOM 0 H SER A 48 13.318 0.294 11.690 1.00 0.31 H new ATOM 0 HA SER A 48 12.363 3.052 11.840 1.00 0.31 H new ATOM 0 HB2 SER A 48 15.014 1.779 12.624 1.00 0.32 H new ATOM 0 HB3 SER A 48 14.520 3.420 12.992 1.00 0.32 H new ATOM 0 HG SER A 48 14.116 1.965 14.753 1.00 1.45 H new ATOM 743 N ASP A 49 13.824 2.122 9.309 1.00 0.25 N ATOM 744 CA ASP A 49 14.458 2.417 8.027 1.00 0.24 C ATOM 745 C ASP A 49 13.739 3.534 7.266 1.00 0.23 C ATOM 746 O ASP A 49 12.587 3.859 7.554 1.00 0.29 O ATOM 747 CB ASP A 49 14.465 1.138 7.184 1.00 0.26 C ATOM 748 CG ASP A 49 14.612 1.402 5.700 1.00 0.74 C ATOM 749 OD1 ASP A 49 15.631 1.999 5.302 1.00 1.73 O ATOM 750 OD2 ASP A 49 13.706 1.009 4.937 1.00 0.53 O ATOM 0 H ASP A 49 13.288 1.254 9.308 1.00 0.25 H new ATOM 0 HA ASP A 49 15.473 2.764 8.218 1.00 0.24 H new ATOM 0 HB2 ASP A 49 15.282 0.497 7.515 1.00 0.26 H new ATOM 0 HB3 ASP A 49 13.539 0.590 7.359 1.00 0.26 H new ATOM 755 N THR A 50 14.441 4.114 6.289 1.00 0.26 N ATOM 756 CA THR A 50 13.895 5.176 5.454 1.00 0.28 C ATOM 757 C THR A 50 14.040 4.773 3.992 1.00 0.33 C ATOM 758 O THR A 50 15.106 4.312 3.581 1.00 0.44 O ATOM 759 CB THR A 50 14.623 6.515 5.688 1.00 0.36 C ATOM 760 OG1 THR A 50 14.534 6.886 7.069 1.00 0.39 O ATOM 761 CG2 THR A 50 14.028 7.620 4.825 1.00 0.42 C ATOM 0 H THR A 50 15.401 3.858 6.058 1.00 0.26 H new ATOM 0 HA THR A 50 12.846 5.315 5.716 1.00 0.28 H new ATOM 0 HB THR A 50 15.669 6.384 5.410 1.00 0.36 H new ATOM 0 HG1 THR A 50 15.000 7.736 7.210 1.00 0.39 H new ATOM 0 HG21 THR A 50 14.560 8.553 5.010 1.00 0.42 H new ATOM 0 HG22 THR A 50 14.123 7.351 3.773 1.00 0.42 H new ATOM 0 HG23 THR A 50 12.974 7.748 5.073 1.00 0.42 H new ATOM 769 N VAL A 51 12.986 4.941 3.204 1.00 0.29 N ATOM 770 CA VAL A 51 13.041 4.544 1.804 1.00 0.37 C ATOM 771 C VAL A 51 12.527 5.623 0.865 1.00 0.30 C ATOM 772 O VAL A 51 11.546 6.309 1.157 1.00 0.29 O ATOM 773 CB VAL A 51 12.230 3.258 1.550 1.00 0.51 C ATOM 774 CG1 VAL A 51 12.818 2.090 2.320 1.00 0.65 C ATOM 775 CG2 VAL A 51 10.767 3.460 1.916 1.00 0.53 C ATOM 0 H VAL A 51 12.097 5.342 3.504 1.00 0.29 H new ATOM 0 HA VAL A 51 14.097 4.371 1.595 1.00 0.37 H new ATOM 0 HB VAL A 51 12.286 3.028 0.486 1.00 0.51 H new ATOM 0 HG11 VAL A 51 12.230 1.193 2.126 1.00 0.65 H new ATOM 0 HG12 VAL A 51 13.847 1.925 2.001 1.00 0.65 H new ATOM 0 HG13 VAL A 51 12.800 2.312 3.387 1.00 0.65 H new ATOM 0 HG21 VAL A 51 10.215 2.539 1.728 1.00 0.53 H new ATOM 0 HG22 VAL A 51 10.689 3.722 2.971 1.00 0.53 H new ATOM 0 HG23 VAL A 51 10.348 4.264 1.311 1.00 0.53 H new ATOM 785 N THR A 52 13.209 5.768 -0.264 1.00 0.27 N ATOM 786 CA THR A 52 12.807 6.719 -1.284 1.00 0.23 C ATOM 787 C THR A 52 12.362 5.937 -2.509 1.00 0.19 C ATOM 788 O THR A 52 13.144 5.182 -3.086 1.00 0.17 O ATOM 789 CB THR A 52 13.957 7.670 -1.669 1.00 0.26 C ATOM 790 OG1 THR A 52 14.428 8.367 -0.509 1.00 0.32 O ATOM 791 CG2 THR A 52 13.502 8.675 -2.718 1.00 0.26 C ATOM 0 H THR A 52 14.047 5.234 -0.494 1.00 0.27 H new ATOM 0 HA THR A 52 11.996 7.333 -0.892 1.00 0.23 H new ATOM 0 HB THR A 52 14.766 7.072 -2.087 1.00 0.26 H new ATOM 0 HG1 THR A 52 15.160 8.968 -0.763 1.00 0.32 H new ATOM 0 HG21 THR A 52 14.331 9.335 -2.973 1.00 0.26 H new ATOM 0 HG22 THR A 52 13.172 8.144 -3.611 1.00 0.26 H new ATOM 0 HG23 THR A 52 12.676 9.266 -2.322 1.00 0.26 H new ATOM 799 N VAL A 53 11.110 6.118 -2.908 1.00 0.19 N ATOM 800 CA VAL A 53 10.573 5.384 -4.045 1.00 0.18 C ATOM 801 C VAL A 53 9.562 6.212 -4.832 1.00 0.19 C ATOM 802 O VAL A 53 9.293 7.367 -4.507 1.00 0.23 O ATOM 803 CB VAL A 53 9.878 4.084 -3.579 1.00 0.20 C ATOM 804 CG1 VAL A 53 10.766 3.300 -2.626 1.00 0.22 C ATOM 805 CG2 VAL A 53 8.540 4.396 -2.924 1.00 0.24 C ATOM 0 H VAL A 53 10.453 6.761 -2.466 1.00 0.19 H new ATOM 0 HA VAL A 53 11.420 5.149 -4.690 1.00 0.18 H new ATOM 0 HB VAL A 53 9.698 3.467 -4.459 1.00 0.20 H new ATOM 0 HG11 VAL A 53 10.252 2.391 -2.314 1.00 0.22 H new ATOM 0 HG12 VAL A 53 11.696 3.037 -3.129 1.00 0.22 H new ATOM 0 HG13 VAL A 53 10.987 3.910 -1.750 1.00 0.22 H new ATOM 0 HG21 VAL A 53 8.067 3.468 -2.603 1.00 0.24 H new ATOM 0 HG22 VAL A 53 8.700 5.040 -2.059 1.00 0.24 H new ATOM 0 HG23 VAL A 53 7.894 4.904 -3.640 1.00 0.24 H new ATOM 815 N GLU A 54 9.016 5.601 -5.875 1.00 0.18 N ATOM 816 CA GLU A 54 8.011 6.239 -6.716 1.00 0.20 C ATOM 817 C GLU A 54 6.828 5.296 -6.875 1.00 0.20 C ATOM 818 O GLU A 54 7.012 4.115 -7.173 1.00 0.21 O ATOM 819 CB GLU A 54 8.607 6.583 -8.083 1.00 0.24 C ATOM 820 CG GLU A 54 7.673 7.380 -8.981 1.00 1.02 C ATOM 821 CD GLU A 54 8.391 7.982 -10.172 1.00 1.76 C ATOM 822 OE1 GLU A 54 8.715 7.228 -11.113 1.00 2.09 O ATOM 823 OE2 GLU A 54 8.627 9.209 -10.165 1.00 2.40 O ATOM 0 H GLU A 54 9.256 4.652 -6.162 1.00 0.18 H new ATOM 0 HA GLU A 54 7.676 7.165 -6.248 1.00 0.20 H new ATOM 0 HB2 GLU A 54 9.525 7.151 -7.935 1.00 0.24 H new ATOM 0 HB3 GLU A 54 8.882 5.659 -8.591 1.00 0.24 H new ATOM 0 HG2 GLU A 54 6.871 6.731 -9.333 1.00 1.02 H new ATOM 0 HG3 GLU A 54 7.207 8.176 -8.401 1.00 1.02 H new ATOM 830 N TYR A 55 5.612 5.800 -6.683 1.00 0.19 N ATOM 831 CA TYR A 55 4.439 4.946 -6.794 1.00 0.20 C ATOM 832 C TYR A 55 3.229 5.691 -7.330 1.00 0.19 C ATOM 833 O TYR A 55 3.205 6.920 -7.404 1.00 0.21 O ATOM 834 CB TYR A 55 4.090 4.335 -5.430 1.00 0.21 C ATOM 835 CG TYR A 55 3.285 5.251 -4.528 1.00 0.19 C ATOM 836 CD1 TYR A 55 3.884 6.327 -3.885 1.00 0.22 C ATOM 837 CD2 TYR A 55 1.923 5.038 -4.322 1.00 0.20 C ATOM 838 CE1 TYR A 55 3.153 7.164 -3.062 1.00 0.24 C ATOM 839 CE2 TYR A 55 1.184 5.872 -3.499 1.00 0.21 C ATOM 840 CZ TYR A 55 1.805 6.933 -2.873 1.00 0.22 C ATOM 841 OH TYR A 55 1.075 7.764 -2.054 1.00 0.26 O ATOM 0 H TYR A 55 5.417 6.775 -6.455 1.00 0.19 H new ATOM 0 HA TYR A 55 4.692 4.158 -7.504 1.00 0.20 H new ATOM 0 HB2 TYR A 55 3.528 3.415 -5.589 1.00 0.21 H new ATOM 0 HB3 TYR A 55 5.013 4.061 -4.920 1.00 0.21 H new ATOM 0 HD1 TYR A 55 4.938 6.513 -4.030 1.00 0.22 H new ATOM 0 HD2 TYR A 55 1.435 4.208 -4.812 1.00 0.20 H new ATOM 0 HE1 TYR A 55 3.635 7.995 -2.569 1.00 0.24 H new ATOM 0 HE2 TYR A 55 0.130 5.693 -3.349 1.00 0.21 H new ATOM 0 HH TYR A 55 0.143 7.463 -2.030 1.00 0.26 H new ATOM 851 N THR A 56 2.226 4.910 -7.700 1.00 0.18 N ATOM 852 CA THR A 56 0.971 5.429 -8.207 1.00 0.17 C ATOM 853 C THR A 56 -0.171 4.749 -7.471 1.00 0.14 C ATOM 854 O THR A 56 -0.373 3.542 -7.610 1.00 0.15 O ATOM 855 CB THR A 56 0.821 5.187 -9.721 1.00 0.21 C ATOM 856 OG1 THR A 56 1.936 5.750 -10.421 1.00 0.26 O ATOM 857 CG2 THR A 56 -0.470 5.800 -10.243 1.00 0.21 C ATOM 0 H THR A 56 2.263 3.892 -7.656 1.00 0.18 H new ATOM 0 HA THR A 56 0.952 6.506 -8.041 1.00 0.17 H new ATOM 0 HB THR A 56 0.790 4.111 -9.891 1.00 0.21 H new ATOM 0 HG1 THR A 56 1.833 5.590 -11.382 1.00 0.26 H new ATOM 0 HG21 THR A 56 -0.553 5.616 -11.314 1.00 0.21 H new ATOM 0 HG22 THR A 56 -1.320 5.350 -9.730 1.00 0.21 H new ATOM 0 HG23 THR A 56 -0.463 6.874 -10.059 1.00 0.21 H new ATOM 865 N GLY A 57 -0.916 5.517 -6.690 1.00 0.12 N ATOM 866 CA GLY A 57 -2.004 4.939 -5.934 1.00 0.11 C ATOM 867 C GLY A 57 -3.352 5.354 -6.458 1.00 0.10 C ATOM 868 O GLY A 57 -3.518 6.464 -6.964 1.00 0.10 O ATOM 0 H GLY A 57 -0.787 6.521 -6.568 1.00 0.12 H new ATOM 0 HA2 GLY A 57 -1.925 3.852 -5.962 1.00 0.11 H new ATOM 0 HA3 GLY A 57 -1.916 5.238 -4.889 1.00 0.11 H new ATOM 872 N ARG A 58 -4.319 4.460 -6.338 1.00 0.12 N ATOM 873 CA ARG A 58 -5.665 4.741 -6.800 1.00 0.13 C ATOM 874 C ARG A 58 -6.689 4.079 -5.888 1.00 0.15 C ATOM 875 O ARG A 58 -6.466 2.985 -5.373 1.00 0.19 O ATOM 876 CB ARG A 58 -5.819 4.257 -8.249 1.00 0.18 C ATOM 877 CG ARG A 58 -7.224 3.815 -8.630 1.00 0.90 C ATOM 878 CD ARG A 58 -7.410 2.321 -8.417 1.00 0.40 C ATOM 879 NE ARG A 58 -8.673 1.840 -8.973 1.00 1.00 N ATOM 880 CZ ARG A 58 -8.855 0.602 -9.428 1.00 0.99 C ATOM 881 NH1 ARG A 58 -7.862 -0.276 -9.389 1.00 0.89 N ATOM 882 NH2 ARG A 58 -10.033 0.242 -9.921 1.00 1.93 N ATOM 0 H ARG A 58 -4.196 3.535 -5.925 1.00 0.12 H new ATOM 0 HA ARG A 58 -5.842 5.816 -6.770 1.00 0.13 H new ATOM 0 HB2 ARG A 58 -5.512 5.060 -8.920 1.00 0.18 H new ATOM 0 HB3 ARG A 58 -5.135 3.425 -8.414 1.00 0.18 H new ATOM 0 HG2 ARG A 58 -7.954 4.363 -8.034 1.00 0.90 H new ATOM 0 HG3 ARG A 58 -7.415 4.062 -9.674 1.00 0.90 H new ATOM 0 HD2 ARG A 58 -6.582 1.783 -8.880 1.00 0.40 H new ATOM 0 HD3 ARG A 58 -7.377 2.100 -7.350 1.00 0.40 H new ATOM 0 HE ARG A 58 -9.459 2.489 -9.015 1.00 1.00 H new ATOM 0 HH11 ARG A 58 -6.955 -0.004 -9.010 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -8.005 -1.224 -9.738 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -10.800 0.914 -9.952 1.00 1.93 H new ATOM 0 HH22 ARG A 58 -10.172 -0.707 -10.269 1.00 1.93 H new ATOM 896 N LEU A 59 -7.822 4.743 -5.720 1.00 0.16 N ATOM 897 CA LEU A 59 -8.894 4.233 -4.880 1.00 0.19 C ATOM 898 C LEU A 59 -9.696 3.185 -5.630 1.00 0.20 C ATOM 899 O LEU A 59 -9.752 3.205 -6.857 1.00 0.22 O ATOM 900 CB LEU A 59 -9.817 5.378 -4.454 1.00 0.22 C ATOM 901 CG LEU A 59 -9.125 6.545 -3.749 1.00 0.78 C ATOM 902 CD1 LEU A 59 -9.871 7.845 -4.013 1.00 1.21 C ATOM 903 CD2 LEU A 59 -9.034 6.285 -2.253 1.00 1.07 C ATOM 0 H LEU A 59 -8.023 5.642 -6.158 1.00 0.16 H new ATOM 0 HA LEU A 59 -8.454 3.777 -3.993 1.00 0.19 H new ATOM 0 HB2 LEU A 59 -10.327 5.760 -5.338 1.00 0.22 H new ATOM 0 HB3 LEU A 59 -10.584 4.977 -3.791 1.00 0.22 H new ATOM 0 HG LEU A 59 -8.115 6.637 -4.148 1.00 0.78 H new ATOM 0 HD11 LEU A 59 -9.365 8.665 -3.504 1.00 1.21 H new ATOM 0 HD12 LEU A 59 -9.892 8.041 -5.085 1.00 1.21 H new ATOM 0 HD13 LEU A 59 -10.892 7.761 -3.640 1.00 1.21 H new ATOM 0 HD21 LEU A 59 -8.539 7.126 -1.767 1.00 1.07 H new ATOM 0 HD22 LEU A 59 -10.037 6.168 -1.842 1.00 1.07 H new ATOM 0 HD23 LEU A 59 -8.461 5.375 -2.076 1.00 1.07 H new ATOM 915 N ILE A 60 -10.314 2.267 -4.892 1.00 0.25 N ATOM 916 CA ILE A 60 -11.129 1.229 -5.505 1.00 0.28 C ATOM 917 C ILE A 60 -12.203 1.876 -6.378 1.00 0.29 C ATOM 918 O ILE A 60 -12.839 1.221 -7.203 1.00 0.32 O ATOM 919 CB ILE A 60 -11.784 0.322 -4.432 1.00 0.34 C ATOM 920 CG1 ILE A 60 -11.730 -1.155 -4.852 1.00 0.64 C ATOM 921 CG2 ILE A 60 -13.217 0.748 -4.147 1.00 0.61 C ATOM 922 CD1 ILE A 60 -12.425 -1.456 -6.164 1.00 0.52 C ATOM 0 H ILE A 60 -10.265 2.223 -3.874 1.00 0.25 H new ATOM 0 HA ILE A 60 -10.486 0.601 -6.122 1.00 0.28 H new ATOM 0 HB ILE A 60 -11.212 0.436 -3.511 1.00 0.34 H new ATOM 0 HG12 ILE A 60 -10.687 -1.461 -4.929 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -12.183 -1.761 -4.067 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -13.648 0.092 -3.391 1.00 0.61 H new ATOM 0 HG22 ILE A 60 -13.226 1.776 -3.784 1.00 0.61 H new ATOM 0 HG23 ILE A 60 -13.805 0.682 -5.062 1.00 0.61 H new ATOM 0 HD11 ILE A 60 -12.339 -2.520 -6.385 1.00 0.52 H new ATOM 0 HD12 ILE A 60 -13.478 -1.185 -6.089 1.00 0.52 H new ATOM 0 HD13 ILE A 60 -11.958 -0.880 -6.963 1.00 0.52 H new ATOM 934 N ASP A 61 -12.384 3.180 -6.183 1.00 0.30 N ATOM 935 CA ASP A 61 -13.366 3.947 -6.941 1.00 0.36 C ATOM 936 C ASP A 61 -12.995 3.996 -8.422 1.00 0.36 C ATOM 937 O ASP A 61 -13.797 4.418 -9.256 1.00 0.42 O ATOM 938 CB ASP A 61 -13.474 5.369 -6.384 1.00 0.40 C ATOM 939 CG ASP A 61 -14.569 6.174 -7.057 1.00 1.07 C ATOM 940 OD1 ASP A 61 -15.720 6.129 -6.575 1.00 0.95 O ATOM 941 OD2 ASP A 61 -14.274 6.851 -8.065 1.00 2.01 O ATOM 0 H ASP A 61 -11.859 3.729 -5.502 1.00 0.30 H new ATOM 0 HA ASP A 61 -14.331 3.450 -6.843 1.00 0.36 H new ATOM 0 HB2 ASP A 61 -13.668 5.322 -5.312 1.00 0.40 H new ATOM 0 HB3 ASP A 61 -12.520 5.880 -6.513 1.00 0.40 H new ATOM 946 N GLY A 62 -11.780 3.558 -8.744 1.00 0.31 N ATOM 947 CA GLY A 62 -11.339 3.556 -10.127 1.00 0.37 C ATOM 948 C GLY A 62 -10.625 4.831 -10.546 1.00 0.38 C ATOM 949 O GLY A 62 -10.204 4.951 -11.697 1.00 0.45 O ATOM 0 H GLY A 62 -11.096 3.206 -8.074 1.00 0.31 H new ATOM 0 HA2 GLY A 62 -10.672 2.709 -10.284 1.00 0.37 H new ATOM 0 HA3 GLY A 62 -12.203 3.406 -10.774 1.00 0.37 H new ATOM 953 N THR A 63 -10.481 5.789 -9.630 1.00 0.33 N ATOM 954 CA THR A 63 -9.834 7.052 -9.959 1.00 0.37 C ATOM 955 C THR A 63 -8.621 7.316 -9.074 1.00 0.31 C ATOM 956 O THR A 63 -8.688 7.194 -7.852 1.00 0.30 O ATOM 957 CB THR A 63 -10.813 8.234 -9.828 1.00 0.44 C ATOM 958 OG1 THR A 63 -10.123 9.469 -10.060 1.00 1.40 O ATOM 959 CG2 THR A 63 -11.458 8.258 -8.449 1.00 1.28 C ATOM 0 H THR A 63 -10.801 5.713 -8.665 1.00 0.33 H new ATOM 0 HA THR A 63 -9.504 6.967 -10.994 1.00 0.37 H new ATOM 0 HB THR A 63 -11.598 8.110 -10.574 1.00 0.44 H new ATOM 0 HG1 THR A 63 -10.752 10.216 -9.977 1.00 1.40 H new ATOM 0 HG21 THR A 63 -12.145 9.102 -8.383 1.00 1.28 H new ATOM 0 HG22 THR A 63 -12.007 7.330 -8.288 1.00 1.28 H new ATOM 0 HG23 THR A 63 -10.685 8.359 -7.687 1.00 1.28 H new ATOM 967 N VAL A 64 -7.511 7.680 -9.710 1.00 0.28 N ATOM 968 CA VAL A 64 -6.284 7.983 -9.000 1.00 0.22 C ATOM 969 C VAL A 64 -6.498 9.166 -8.072 1.00 0.20 C ATOM 970 O VAL A 64 -7.090 10.174 -8.460 1.00 0.23 O ATOM 971 CB VAL A 64 -5.135 8.302 -9.981 1.00 0.22 C ATOM 972 CG1 VAL A 64 -5.553 9.386 -10.964 1.00 0.25 C ATOM 973 CG2 VAL A 64 -3.878 8.717 -9.227 1.00 0.18 C ATOM 0 H VAL A 64 -7.442 7.771 -10.724 1.00 0.28 H new ATOM 0 HA VAL A 64 -6.009 7.104 -8.418 1.00 0.22 H new ATOM 0 HB VAL A 64 -4.910 7.397 -10.545 1.00 0.22 H new ATOM 0 HG11 VAL A 64 -4.729 9.596 -11.646 1.00 0.25 H new ATOM 0 HG12 VAL A 64 -6.418 9.047 -11.533 1.00 0.25 H new ATOM 0 HG13 VAL A 64 -5.811 10.293 -10.417 1.00 0.25 H new ATOM 0 HG21 VAL A 64 -3.082 8.937 -9.939 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -4.088 9.606 -8.632 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.563 7.906 -8.570 1.00 0.18 H new ATOM 983 N PHE A 65 -6.019 9.038 -6.847 1.00 0.18 N ATOM 984 CA PHE A 65 -6.165 10.104 -5.866 1.00 0.20 C ATOM 985 C PHE A 65 -4.902 10.967 -5.780 1.00 0.20 C ATOM 986 O PHE A 65 -4.975 12.146 -5.434 1.00 0.24 O ATOM 987 CB PHE A 65 -6.536 9.527 -4.482 1.00 0.21 C ATOM 988 CG PHE A 65 -5.588 8.496 -3.907 1.00 0.17 C ATOM 989 CD1 PHE A 65 -4.404 8.148 -4.535 1.00 0.15 C ATOM 990 CD2 PHE A 65 -5.890 7.886 -2.705 1.00 0.18 C ATOM 991 CE1 PHE A 65 -3.545 7.225 -3.983 1.00 0.15 C ATOM 992 CE2 PHE A 65 -5.037 6.953 -2.153 1.00 0.18 C ATOM 993 CZ PHE A 65 -3.860 6.624 -2.792 1.00 0.17 C ATOM 0 H PHE A 65 -5.528 8.211 -6.507 1.00 0.18 H new ATOM 0 HA PHE A 65 -6.979 10.749 -6.197 1.00 0.20 H new ATOM 0 HB2 PHE A 65 -6.611 10.354 -3.776 1.00 0.21 H new ATOM 0 HB3 PHE A 65 -7.527 9.078 -4.553 1.00 0.21 H new ATOM 0 HD1 PHE A 65 -4.149 8.610 -5.477 1.00 0.15 H new ATOM 0 HD2 PHE A 65 -6.805 8.143 -2.191 1.00 0.18 H new ATOM 0 HE1 PHE A 65 -2.624 6.975 -4.488 1.00 0.15 H new ATOM 0 HE2 PHE A 65 -5.292 6.478 -1.217 1.00 0.18 H new ATOM 0 HZ PHE A 65 -3.190 5.897 -2.357 1.00 0.17 H new ATOM 1003 N ASP A 66 -3.749 10.377 -6.101 1.00 0.18 N ATOM 1004 CA ASP A 66 -2.482 11.088 -6.061 1.00 0.19 C ATOM 1005 C ASP A 66 -1.349 10.191 -6.551 1.00 0.17 C ATOM 1006 O ASP A 66 -1.203 9.058 -6.092 1.00 0.18 O ATOM 1007 CB ASP A 66 -2.181 11.585 -4.645 1.00 0.25 C ATOM 1008 CG ASP A 66 -0.851 12.308 -4.555 1.00 0.27 C ATOM 1009 OD1 ASP A 66 0.176 11.637 -4.326 1.00 0.30 O ATOM 1010 OD2 ASP A 66 -0.837 13.547 -4.713 1.00 0.30 O ATOM 0 H ASP A 66 -3.673 9.402 -6.392 1.00 0.18 H new ATOM 0 HA ASP A 66 -2.559 11.951 -6.722 1.00 0.19 H new ATOM 0 HB2 ASP A 66 -2.978 12.255 -4.321 1.00 0.25 H new ATOM 0 HB3 ASP A 66 -2.178 10.738 -3.959 1.00 0.25 H new ATOM 1015 N SER A 67 -0.551 10.701 -7.476 1.00 0.17 N ATOM 1016 CA SER A 67 0.576 9.945 -8.012 1.00 0.19 C ATOM 1017 C SER A 67 1.856 10.771 -7.955 1.00 0.18 C ATOM 1018 O SER A 67 1.956 11.821 -8.590 1.00 0.22 O ATOM 1019 CB SER A 67 0.296 9.513 -9.453 1.00 0.25 C ATOM 1020 OG SER A 67 -0.017 10.628 -10.269 1.00 1.30 O ATOM 0 H SER A 67 -0.661 11.634 -7.873 1.00 0.17 H new ATOM 0 HA SER A 67 0.708 9.055 -7.397 1.00 0.19 H new ATOM 0 HB2 SER A 67 1.167 8.996 -9.857 1.00 0.25 H new ATOM 0 HB3 SER A 67 -0.531 8.803 -9.469 1.00 0.25 H new ATOM 0 HG SER A 67 0.500 11.406 -9.972 1.00 1.30 H new ATOM 1026 N THR A 68 2.833 10.291 -7.191 1.00 0.19 N ATOM 1027 CA THR A 68 4.106 10.992 -7.056 1.00 0.21 C ATOM 1028 C THR A 68 4.947 10.816 -8.315 1.00 0.28 C ATOM 1029 O THR A 68 5.951 11.501 -8.509 1.00 0.34 O ATOM 1030 CB THR A 68 4.898 10.489 -5.831 1.00 0.20 C ATOM 1031 OG1 THR A 68 5.213 9.100 -5.988 1.00 0.27 O ATOM 1032 CG2 THR A 68 4.095 10.691 -4.556 1.00 0.28 C ATOM 0 H THR A 68 2.768 9.424 -6.658 1.00 0.19 H new ATOM 0 HA THR A 68 3.885 12.050 -6.913 1.00 0.21 H new ATOM 0 HB THR A 68 5.822 11.063 -5.758 1.00 0.20 H new ATOM 0 HG1 THR A 68 6.176 8.998 -6.139 1.00 0.27 H new ATOM 0 HG21 THR A 68 4.670 10.330 -3.703 1.00 0.28 H new ATOM 0 HG22 THR A 68 3.879 11.752 -4.426 1.00 0.28 H new ATOM 0 HG23 THR A 68 3.159 10.136 -4.624 1.00 0.28 H new ATOM 1040 N GLU A 69 4.521 9.888 -9.166 1.00 0.42 N ATOM 1041 CA GLU A 69 5.212 9.603 -10.415 1.00 0.56 C ATOM 1042 C GLU A 69 4.940 10.686 -11.458 1.00 0.66 C ATOM 1043 O GLU A 69 5.859 11.177 -12.114 1.00 0.75 O ATOM 1044 CB GLU A 69 4.768 8.242 -10.953 1.00 0.75 C ATOM 1045 CG GLU A 69 5.608 7.740 -12.113 1.00 1.17 C ATOM 1046 CD GLU A 69 5.106 6.423 -12.671 1.00 1.66 C ATOM 1047 OE1 GLU A 69 4.229 6.451 -13.560 1.00 2.05 O ATOM 1048 OE2 GLU A 69 5.590 5.364 -12.220 1.00 2.11 O ATOM 0 H GLU A 69 3.691 9.316 -9.009 1.00 0.42 H new ATOM 0 HA GLU A 69 6.283 9.586 -10.215 1.00 0.56 H new ATOM 0 HB2 GLU A 69 4.807 7.512 -10.145 1.00 0.75 H new ATOM 0 HB3 GLU A 69 3.728 8.309 -11.272 1.00 0.75 H new ATOM 0 HG2 GLU A 69 5.610 8.488 -12.905 1.00 1.17 H new ATOM 0 HG3 GLU A 69 6.640 7.621 -11.784 1.00 1.17 H new ATOM 1055 N LYS A 70 3.668 11.050 -11.604 1.00 0.69 N ATOM 1056 CA LYS A 70 3.261 12.062 -12.575 1.00 0.84 C ATOM 1057 C LYS A 70 3.706 13.460 -12.155 1.00 0.85 C ATOM 1058 O LYS A 70 4.070 14.281 -12.997 1.00 1.01 O ATOM 1059 CB LYS A 70 1.743 12.036 -12.763 1.00 0.91 C ATOM 1060 CG LYS A 70 1.221 10.711 -13.299 1.00 1.63 C ATOM 1061 CD LYS A 70 -0.273 10.771 -13.581 1.00 1.87 C ATOM 1062 CE LYS A 70 -0.588 11.711 -14.736 1.00 2.76 C ATOM 1063 NZ LYS A 70 -2.049 11.773 -15.019 1.00 3.41 N ATOM 0 H LYS A 70 2.899 10.658 -11.060 1.00 0.69 H new ATOM 0 HA LYS A 70 3.749 11.824 -13.520 1.00 0.84 H new ATOM 0 HB2 LYS A 70 1.263 12.247 -11.808 1.00 0.91 H new ATOM 0 HB3 LYS A 70 1.456 12.834 -13.447 1.00 0.91 H new ATOM 0 HG2 LYS A 70 1.754 10.452 -14.214 1.00 1.63 H new ATOM 0 HG3 LYS A 70 1.424 9.920 -12.577 1.00 1.63 H new ATOM 0 HD2 LYS A 70 -0.640 9.772 -13.814 1.00 1.87 H new ATOM 0 HD3 LYS A 70 -0.800 11.104 -12.686 1.00 1.87 H new ATOM 0 HE2 LYS A 70 -0.221 12.710 -14.501 1.00 2.76 H new ATOM 0 HE3 LYS A 70 -0.059 11.379 -15.629 1.00 2.76 H new ATOM 0 HZ1 LYS A 70 -2.222 12.424 -15.812 1.00 3.41 H new ATOM 0 HZ2 LYS A 70 -2.395 10.824 -15.268 1.00 3.41 H new ATOM 0 HZ3 LYS A 70 -2.552 12.115 -14.175 1.00 3.41 H new ATOM 1077 N THR A 71 3.669 13.730 -10.853 1.00 0.73 N ATOM 1078 CA THR A 71 4.065 15.037 -10.336 1.00 0.82 C ATOM 1079 C THR A 71 5.512 15.359 -10.694 1.00 0.82 C ATOM 1080 O THR A 71 5.958 16.497 -10.551 1.00 0.97 O ATOM 1081 CB THR A 71 3.900 15.116 -8.807 1.00 0.76 C ATOM 1082 OG1 THR A 71 4.642 14.064 -8.178 1.00 1.25 O ATOM 1083 CG2 THR A 71 2.434 15.012 -8.414 1.00 1.47 C ATOM 0 H THR A 71 3.370 13.065 -10.140 1.00 0.73 H new ATOM 0 HA THR A 71 3.405 15.768 -10.803 1.00 0.82 H new ATOM 0 HB THR A 71 4.282 16.081 -8.473 1.00 0.76 H new ATOM 0 HG1 THR A 71 4.533 14.123 -7.206 1.00 1.25 H new ATOM 0 HG21 THR A 71 2.343 15.070 -7.329 1.00 1.47 H new ATOM 0 HG22 THR A 71 1.876 15.830 -8.869 1.00 1.47 H new ATOM 0 HG23 THR A 71 2.031 14.061 -8.761 1.00 1.47 H new ATOM 1091 N GLY A 72 6.240 14.349 -11.159 1.00 0.69 N ATOM 1092 CA GLY A 72 7.627 14.544 -11.532 1.00 0.70 C ATOM 1093 C GLY A 72 8.537 14.666 -10.328 1.00 0.60 C ATOM 1094 O GLY A 72 9.717 14.989 -10.464 1.00 0.60 O ATOM 0 H GLY A 72 5.893 13.398 -11.284 1.00 0.69 H new ATOM 0 HA2 GLY A 72 7.955 13.708 -12.149 1.00 0.70 H new ATOM 0 HA3 GLY A 72 7.713 15.443 -12.142 1.00 0.70 H new ATOM 1098 N LYS A 73 7.987 14.407 -9.145 1.00 0.54 N ATOM 1099 CA LYS A 73 8.758 14.487 -7.912 1.00 0.49 C ATOM 1100 C LYS A 73 8.717 13.159 -7.157 1.00 0.40 C ATOM 1101 O LYS A 73 7.649 12.707 -6.742 1.00 0.43 O ATOM 1102 CB LYS A 73 8.229 15.616 -7.027 1.00 0.60 C ATOM 1103 CG LYS A 73 8.825 15.632 -5.628 1.00 1.47 C ATOM 1104 CD LYS A 73 8.296 16.801 -4.813 1.00 1.89 C ATOM 1105 CE LYS A 73 8.910 16.837 -3.424 1.00 2.37 C ATOM 1106 NZ LYS A 73 8.399 17.980 -2.618 1.00 3.05 N ATOM 0 H LYS A 73 7.011 14.140 -9.016 1.00 0.54 H new ATOM 0 HA LYS A 73 9.795 14.700 -8.172 1.00 0.49 H new ATOM 0 HB2 LYS A 73 8.436 16.571 -7.510 1.00 0.60 H new ATOM 0 HB3 LYS A 73 7.146 15.526 -6.949 1.00 0.60 H new ATOM 0 HG2 LYS A 73 8.590 14.697 -5.120 1.00 1.47 H new ATOM 0 HG3 LYS A 73 9.911 15.695 -5.694 1.00 1.47 H new ATOM 0 HD2 LYS A 73 8.513 17.735 -5.332 1.00 1.89 H new ATOM 0 HD3 LYS A 73 7.212 16.727 -4.730 1.00 1.89 H new ATOM 0 HE2 LYS A 73 8.692 15.903 -2.907 1.00 2.37 H new ATOM 0 HE3 LYS A 73 9.994 16.909 -3.509 1.00 2.37 H new ATOM 0 HZ1 LYS A 73 8.843 17.968 -1.678 1.00 3.05 H new ATOM 0 HZ2 LYS A 73 8.629 18.874 -3.098 1.00 3.05 H new ATOM 0 HZ3 LYS A 73 7.367 17.898 -2.515 1.00 3.05 H new ATOM 1120 N PRO A 74 9.886 12.518 -6.972 1.00 0.33 N ATOM 1121 CA PRO A 74 9.983 11.236 -6.265 1.00 0.29 C ATOM 1122 C PRO A 74 9.332 11.276 -4.888 1.00 0.24 C ATOM 1123 O PRO A 74 9.244 12.332 -4.262 1.00 0.27 O ATOM 1124 CB PRO A 74 11.491 11.017 -6.124 1.00 0.33 C ATOM 1125 CG PRO A 74 12.101 11.811 -7.226 1.00 0.51 C ATOM 1126 CD PRO A 74 11.201 12.995 -7.438 1.00 0.38 C ATOM 0 HA PRO A 74 9.467 10.442 -6.804 1.00 0.29 H new ATOM 0 HB2 PRO A 74 11.849 11.353 -5.151 1.00 0.33 H new ATOM 0 HB3 PRO A 74 11.746 9.961 -6.211 1.00 0.33 H new ATOM 0 HG2 PRO A 74 13.109 12.131 -6.963 1.00 0.51 H new ATOM 0 HG3 PRO A 74 12.182 11.216 -8.136 1.00 0.51 H new ATOM 0 HD2 PRO A 74 11.538 13.862 -6.869 1.00 0.38 H new ATOM 0 HD3 PRO A 74 11.171 13.293 -8.486 1.00 0.38 H new ATOM 1134 N ALA A 75 8.881 10.117 -4.423 1.00 0.21 N ATOM 1135 CA ALA A 75 8.246 10.010 -3.121 1.00 0.19 C ATOM 1136 C ALA A 75 9.256 9.557 -2.071 1.00 0.18 C ATOM 1137 O ALA A 75 9.902 8.525 -2.228 1.00 0.19 O ATOM 1138 CB ALA A 75 7.079 9.038 -3.191 1.00 0.23 C ATOM 0 H ALA A 75 8.945 9.236 -4.933 1.00 0.21 H new ATOM 0 HA ALA A 75 7.869 10.991 -2.832 1.00 0.19 H new ATOM 0 HB1 ALA A 75 6.608 8.963 -2.211 1.00 0.23 H new ATOM 0 HB2 ALA A 75 6.350 9.397 -3.917 1.00 0.23 H new ATOM 0 HB3 ALA A 75 7.441 8.056 -3.495 1.00 0.23 H new ATOM 1144 N THR A 76 9.391 10.334 -1.002 1.00 0.18 N ATOM 1145 CA THR A 76 10.332 10.001 0.062 1.00 0.18 C ATOM 1146 C THR A 76 9.666 10.070 1.432 1.00 0.21 C ATOM 1147 O THR A 76 9.189 11.124 1.855 1.00 0.26 O ATOM 1148 CB THR A 76 11.558 10.935 0.045 1.00 0.21 C ATOM 1149 OG1 THR A 76 12.388 10.677 1.182 1.00 1.15 O ATOM 1150 CG2 THR A 76 11.134 12.398 0.042 1.00 1.26 C ATOM 0 H THR A 76 8.864 11.194 -0.849 1.00 0.18 H new ATOM 0 HA THR A 76 10.665 8.979 -0.122 1.00 0.18 H new ATOM 0 HB THR A 76 12.119 10.737 -0.868 1.00 0.21 H new ATOM 0 HG1 THR A 76 13.165 11.274 1.162 1.00 1.15 H new ATOM 0 HG21 THR A 76 12.020 13.033 0.030 1.00 1.26 H new ATOM 0 HG22 THR A 76 10.530 12.600 -0.843 1.00 1.26 H new ATOM 0 HG23 THR A 76 10.548 12.609 0.937 1.00 1.26 H new ATOM 1158 N PHE A 77 9.629 8.934 2.120 1.00 0.20 N ATOM 1159 CA PHE A 77 9.021 8.857 3.445 1.00 0.26 C ATOM 1160 C PHE A 77 9.550 7.654 4.224 1.00 0.26 C ATOM 1161 O PHE A 77 10.110 6.724 3.644 1.00 0.29 O ATOM 1162 CB PHE A 77 7.499 8.759 3.315 1.00 0.28 C ATOM 1163 CG PHE A 77 7.041 7.539 2.566 1.00 0.26 C ATOM 1164 CD1 PHE A 77 7.025 7.526 1.180 1.00 0.25 C ATOM 1165 CD2 PHE A 77 6.630 6.406 3.247 1.00 0.32 C ATOM 1166 CE1 PHE A 77 6.609 6.404 0.489 1.00 0.29 C ATOM 1167 CE2 PHE A 77 6.212 5.281 2.561 1.00 0.36 C ATOM 1168 CZ PHE A 77 6.202 5.280 1.180 1.00 0.34 C ATOM 0 H PHE A 77 10.013 8.052 1.782 1.00 0.20 H new ATOM 0 HA PHE A 77 9.284 9.762 3.992 1.00 0.26 H new ATOM 0 HB2 PHE A 77 7.056 8.752 4.311 1.00 0.28 H new ATOM 0 HB3 PHE A 77 7.127 9.649 2.807 1.00 0.28 H new ATOM 0 HD1 PHE A 77 7.341 8.403 0.634 1.00 0.25 H new ATOM 0 HD2 PHE A 77 6.636 6.401 4.327 1.00 0.32 H new ATOM 0 HE1 PHE A 77 6.602 6.406 -0.591 1.00 0.29 H new ATOM 0 HE2 PHE A 77 5.894 4.404 3.104 1.00 0.36 H new ATOM 0 HZ PHE A 77 5.877 4.402 0.642 1.00 0.34 H new ATOM 1178 N GLN A 78 9.369 7.684 5.543 1.00 0.30 N ATOM 1179 CA GLN A 78 9.810 6.590 6.403 1.00 0.36 C ATOM 1180 C GLN A 78 8.780 5.466 6.385 1.00 0.31 C ATOM 1181 O GLN A 78 7.579 5.713 6.278 1.00 0.35 O ATOM 1182 CB GLN A 78 10.020 7.082 7.836 1.00 0.52 C ATOM 1183 CG GLN A 78 11.398 6.762 8.393 1.00 1.03 C ATOM 1184 CD GLN A 78 11.341 6.061 9.738 1.00 1.02 C ATOM 1185 OE1 GLN A 78 10.329 5.221 9.930 1.00 1.58 O flip ATOM 1186 NE2 GLN A 78 12.204 6.263 10.592 1.00 1.00 N flip ATOM 0 H GLN A 78 8.920 8.454 6.038 1.00 0.30 H new ATOM 0 HA GLN A 78 10.760 6.213 6.023 1.00 0.36 H new ATOM 0 HB2 GLN A 78 9.866 8.161 7.867 1.00 0.52 H new ATOM 0 HB3 GLN A 78 9.264 6.633 8.480 1.00 0.52 H new ATOM 0 HG2 GLN A 78 11.935 6.133 7.683 1.00 1.03 H new ATOM 0 HG3 GLN A 78 11.968 7.686 8.494 1.00 1.03 H new ATOM 0 HE21 GLN A 78 12.964 6.916 10.404 1.00 1.00 H new ATOM 0 HE22 GLN A 78 12.159 5.777 11.488 1.00 1.00 H new ATOM 1195 N VAL A 79 9.259 4.235 6.495 1.00 0.30 N ATOM 1196 CA VAL A 79 8.391 3.065 6.465 1.00 0.31 C ATOM 1197 C VAL A 79 7.459 2.987 7.678 1.00 0.32 C ATOM 1198 O VAL A 79 6.351 2.467 7.573 1.00 0.42 O ATOM 1199 CB VAL A 79 9.219 1.767 6.381 1.00 0.36 C ATOM 1200 CG1 VAL A 79 10.136 1.799 5.169 1.00 1.07 C ATOM 1201 CG2 VAL A 79 10.025 1.554 7.653 1.00 0.90 C ATOM 0 H VAL A 79 10.250 4.019 6.606 1.00 0.30 H new ATOM 0 HA VAL A 79 7.774 3.171 5.573 1.00 0.31 H new ATOM 0 HB VAL A 79 8.529 0.930 6.273 1.00 0.36 H new ATOM 0 HG11 VAL A 79 10.713 0.875 5.125 1.00 1.07 H new ATOM 0 HG12 VAL A 79 9.538 1.897 4.263 1.00 1.07 H new ATOM 0 HG13 VAL A 79 10.815 2.648 5.249 1.00 1.07 H new ATOM 0 HG21 VAL A 79 10.600 0.632 7.569 1.00 0.90 H new ATOM 0 HG22 VAL A 79 10.704 2.394 7.798 1.00 0.90 H new ATOM 0 HG23 VAL A 79 9.349 1.483 8.505 1.00 0.90 H new ATOM 1211 N SER A 80 7.904 3.499 8.821 1.00 0.30 N ATOM 1212 CA SER A 80 7.096 3.450 10.042 1.00 0.36 C ATOM 1213 C SER A 80 6.302 4.736 10.268 1.00 0.34 C ATOM 1214 O SER A 80 5.484 4.812 11.185 1.00 0.42 O ATOM 1215 CB SER A 80 7.992 3.177 11.252 1.00 0.46 C ATOM 1216 OG SER A 80 7.233 3.116 12.447 1.00 1.14 O ATOM 0 H SER A 80 8.812 3.950 8.931 1.00 0.30 H new ATOM 0 HA SER A 80 6.377 2.640 9.920 1.00 0.36 H new ATOM 0 HB2 SER A 80 8.526 2.237 11.108 1.00 0.46 H new ATOM 0 HB3 SER A 80 8.744 3.961 11.335 1.00 0.46 H new ATOM 0 HG SER A 80 6.448 3.698 12.366 1.00 1.14 H new ATOM 1222 N GLN A 81 6.540 5.744 9.436 1.00 0.31 N ATOM 1223 CA GLN A 81 5.842 7.021 9.571 1.00 0.36 C ATOM 1224 C GLN A 81 4.487 7.007 8.865 1.00 0.32 C ATOM 1225 O GLN A 81 3.811 8.034 8.789 1.00 0.37 O ATOM 1226 CB GLN A 81 6.704 8.159 9.023 1.00 0.46 C ATOM 1227 CG GLN A 81 7.827 8.576 9.959 1.00 1.09 C ATOM 1228 CD GLN A 81 8.632 9.743 9.422 1.00 1.48 C ATOM 1229 OE1 GLN A 81 8.113 10.583 8.689 1.00 2.08 O ATOM 1230 NE2 GLN A 81 9.908 9.799 9.786 1.00 1.80 N ATOM 0 H GLN A 81 7.206 5.704 8.665 1.00 0.31 H new ATOM 0 HA GLN A 81 5.662 7.183 10.634 1.00 0.36 H new ATOM 0 HB2 GLN A 81 7.132 7.852 8.069 1.00 0.46 H new ATOM 0 HB3 GLN A 81 6.068 9.022 8.824 1.00 0.46 H new ATOM 0 HG2 GLN A 81 7.406 8.845 10.928 1.00 1.09 H new ATOM 0 HG3 GLN A 81 8.491 7.727 10.125 1.00 1.09 H new ATOM 0 HE21 GLN A 81 10.296 9.080 10.396 1.00 1.80 H new ATOM 0 HE22 GLN A 81 10.500 10.561 9.456 1.00 1.80 H new ATOM 1239 N VAL A 82 4.093 5.846 8.350 1.00 0.26 N ATOM 1240 CA VAL A 82 2.818 5.717 7.649 1.00 0.26 C ATOM 1241 C VAL A 82 1.815 4.881 8.446 1.00 0.24 C ATOM 1242 O VAL A 82 2.075 4.513 9.591 1.00 0.24 O ATOM 1243 CB VAL A 82 3.013 5.091 6.256 1.00 0.30 C ATOM 1244 CG1 VAL A 82 3.574 6.120 5.285 1.00 0.45 C ATOM 1245 CG2 VAL A 82 3.928 3.880 6.341 1.00 0.25 C ATOM 0 H VAL A 82 4.635 4.984 8.404 1.00 0.26 H new ATOM 0 HA VAL A 82 2.417 6.725 7.537 1.00 0.26 H new ATOM 0 HB VAL A 82 2.042 4.762 5.885 1.00 0.30 H new ATOM 0 HG11 VAL A 82 3.706 5.661 4.305 1.00 0.45 H new ATOM 0 HG12 VAL A 82 2.882 6.958 5.203 1.00 0.45 H new ATOM 0 HG13 VAL A 82 4.536 6.478 5.650 1.00 0.45 H new ATOM 0 HG21 VAL A 82 4.055 3.450 5.348 1.00 0.25 H new ATOM 0 HG22 VAL A 82 4.899 4.184 6.732 1.00 0.25 H new ATOM 0 HG23 VAL A 82 3.487 3.136 7.005 1.00 0.25 H new ATOM 1255 N ILE A 83 0.666 4.588 7.833 1.00 0.25 N ATOM 1256 CA ILE A 83 -0.379 3.803 8.487 1.00 0.26 C ATOM 1257 C ILE A 83 0.149 2.449 8.966 1.00 0.26 C ATOM 1258 O ILE A 83 1.142 1.946 8.444 1.00 0.23 O ATOM 1259 CB ILE A 83 -1.581 3.577 7.546 1.00 0.30 C ATOM 1260 CG1 ILE A 83 -1.132 2.872 6.264 1.00 0.29 C ATOM 1261 CG2 ILE A 83 -2.252 4.902 7.220 1.00 0.32 C ATOM 1262 CD1 ILE A 83 -2.279 2.463 5.364 1.00 0.75 C ATOM 0 H ILE A 83 0.437 4.884 6.884 1.00 0.25 H new ATOM 0 HA ILE A 83 -0.706 4.378 9.353 1.00 0.26 H new ATOM 0 HB ILE A 83 -2.304 2.938 8.053 1.00 0.30 H new ATOM 0 HG12 ILE A 83 -0.465 3.533 5.711 1.00 0.29 H new ATOM 0 HG13 ILE A 83 -0.555 1.986 6.529 1.00 0.29 H new ATOM 0 HG21 ILE A 83 -3.098 4.728 6.555 1.00 0.32 H new ATOM 0 HG22 ILE A 83 -2.604 5.368 8.141 1.00 0.32 H new ATOM 0 HG23 ILE A 83 -1.536 5.562 6.730 1.00 0.32 H new ATOM 0 HD11 ILE A 83 -1.886 1.969 4.475 1.00 0.75 H new ATOM 0 HD12 ILE A 83 -2.935 1.777 5.900 1.00 0.75 H new ATOM 0 HD13 ILE A 83 -2.843 3.348 5.068 1.00 0.75 H new ATOM 1274 N PRO A 84 -0.516 1.845 9.976 1.00 0.32 N ATOM 1275 CA PRO A 84 -0.107 0.552 10.538 1.00 0.34 C ATOM 1276 C PRO A 84 0.220 -0.491 9.474 1.00 0.31 C ATOM 1277 O PRO A 84 1.341 -1.000 9.419 1.00 0.32 O ATOM 1278 CB PRO A 84 -1.329 0.125 11.349 1.00 0.43 C ATOM 1279 CG PRO A 84 -1.957 1.404 11.775 1.00 0.65 C ATOM 1280 CD PRO A 84 -1.718 2.378 10.651 1.00 0.41 C ATOM 0 HA PRO A 84 0.810 0.640 11.121 1.00 0.34 H new ATOM 0 HB2 PRO A 84 -2.014 -0.474 10.749 1.00 0.43 H new ATOM 0 HB3 PRO A 84 -1.043 -0.483 12.208 1.00 0.43 H new ATOM 0 HG2 PRO A 84 -3.024 1.273 11.958 1.00 0.65 H new ATOM 0 HG3 PRO A 84 -1.516 1.765 12.704 1.00 0.65 H new ATOM 0 HD2 PRO A 84 -2.570 2.425 9.973 1.00 0.41 H new ATOM 0 HD3 PRO A 84 -1.553 3.388 11.025 1.00 0.41 H new ATOM 1288 N GLY A 85 -0.760 -0.804 8.630 1.00 0.31 N ATOM 1289 CA GLY A 85 -0.558 -1.794 7.590 1.00 0.31 C ATOM 1290 C GLY A 85 0.690 -1.540 6.758 1.00 0.27 C ATOM 1291 O GLY A 85 1.512 -2.438 6.570 1.00 0.28 O ATOM 0 H GLY A 85 -1.691 -0.388 8.649 1.00 0.31 H new ATOM 0 HA2 GLY A 85 -0.489 -2.782 8.046 1.00 0.31 H new ATOM 0 HA3 GLY A 85 -1.428 -1.806 6.934 1.00 0.31 H new ATOM 1295 N TRP A 86 0.847 -0.309 6.282 1.00 0.25 N ATOM 1296 CA TRP A 86 1.995 0.048 5.451 1.00 0.25 C ATOM 1297 C TRP A 86 3.315 -0.128 6.197 1.00 0.24 C ATOM 1298 O TRP A 86 4.307 -0.564 5.617 1.00 0.30 O ATOM 1299 CB TRP A 86 1.866 1.488 4.949 1.00 0.25 C ATOM 1300 CG TRP A 86 1.495 1.592 3.498 1.00 0.21 C ATOM 1301 CD1 TRP A 86 0.717 0.728 2.781 1.00 0.26 C ATOM 1302 CD2 TRP A 86 1.890 2.624 2.587 1.00 0.34 C ATOM 1303 NE1 TRP A 86 0.609 1.159 1.480 1.00 0.19 N ATOM 1304 CE2 TRP A 86 1.320 2.322 1.337 1.00 0.28 C ATOM 1305 CE3 TRP A 86 2.672 3.776 2.709 1.00 0.60 C ATOM 1306 CZ2 TRP A 86 1.507 3.130 0.217 1.00 0.44 C ATOM 1307 CZ3 TRP A 86 2.857 4.577 1.598 1.00 0.78 C ATOM 1308 CH2 TRP A 86 2.277 4.251 0.366 1.00 0.70 C ATOM 0 H TRP A 86 0.197 0.457 6.456 1.00 0.25 H new ATOM 0 HA TRP A 86 2.001 -0.631 4.599 1.00 0.25 H new ATOM 0 HB2 TRP A 86 1.114 2.005 5.545 1.00 0.25 H new ATOM 0 HB3 TRP A 86 2.812 2.006 5.111 1.00 0.25 H new ATOM 0 HD1 TRP A 86 0.254 -0.163 3.178 1.00 0.26 H new ATOM 0 HE1 TRP A 86 0.085 0.690 0.741 1.00 0.19 H new ATOM 0 HE3 TRP A 86 3.124 4.036 3.655 1.00 0.60 H new ATOM 0 HZ2 TRP A 86 1.060 2.880 -0.734 1.00 0.44 H new ATOM 0 HZ3 TRP A 86 3.459 5.470 1.682 1.00 0.78 H new ATOM 0 HH2 TRP A 86 2.441 4.897 -0.484 1.00 0.70 H new ATOM 1319 N THR A 87 3.329 0.212 7.481 1.00 0.23 N ATOM 1320 CA THR A 87 4.541 0.087 8.283 1.00 0.26 C ATOM 1321 C THR A 87 5.016 -1.362 8.350 1.00 0.25 C ATOM 1322 O THR A 87 6.217 -1.630 8.361 1.00 0.26 O ATOM 1323 CB THR A 87 4.328 0.622 9.714 1.00 0.33 C ATOM 1324 OG1 THR A 87 4.098 2.036 9.681 1.00 1.40 O ATOM 1325 CG2 THR A 87 5.531 0.321 10.595 1.00 1.25 C ATOM 0 H THR A 87 2.520 0.574 7.987 1.00 0.23 H new ATOM 0 HA THR A 87 5.306 0.688 7.792 1.00 0.26 H new ATOM 0 HB THR A 87 3.457 0.121 10.135 1.00 0.33 H new ATOM 0 HG1 THR A 87 3.206 2.214 9.315 1.00 1.40 H new ATOM 0 HG21 THR A 87 5.354 0.709 11.598 1.00 1.25 H new ATOM 0 HG22 THR A 87 5.685 -0.757 10.645 1.00 1.25 H new ATOM 0 HG23 THR A 87 6.418 0.795 10.174 1.00 1.25 H new ATOM 1333 N GLU A 88 4.068 -2.290 8.387 1.00 0.25 N ATOM 1334 CA GLU A 88 4.389 -3.712 8.460 1.00 0.28 C ATOM 1335 C GLU A 88 4.991 -4.226 7.152 1.00 0.28 C ATOM 1336 O GLU A 88 5.952 -4.996 7.163 1.00 0.34 O ATOM 1337 CB GLU A 88 3.133 -4.515 8.807 1.00 0.33 C ATOM 1338 CG GLU A 88 3.372 -6.015 8.881 1.00 0.69 C ATOM 1339 CD GLU A 88 4.419 -6.388 9.912 1.00 0.86 C ATOM 1340 OE1 GLU A 88 4.056 -6.547 11.097 1.00 1.43 O ATOM 1341 OE2 GLU A 88 5.603 -6.521 9.536 1.00 1.15 O ATOM 0 H GLU A 88 3.069 -2.084 8.368 1.00 0.25 H new ATOM 0 HA GLU A 88 5.135 -3.843 9.243 1.00 0.28 H new ATOM 0 HB2 GLU A 88 2.744 -4.170 9.765 1.00 0.33 H new ATOM 0 HB3 GLU A 88 2.365 -4.314 8.060 1.00 0.33 H new ATOM 0 HG2 GLU A 88 2.435 -6.517 9.122 1.00 0.69 H new ATOM 0 HG3 GLU A 88 3.686 -6.378 7.902 1.00 0.69 H new ATOM 1348 N ALA A 89 4.418 -3.806 6.029 1.00 0.26 N ATOM 1349 CA ALA A 89 4.892 -4.241 4.716 1.00 0.29 C ATOM 1350 C ALA A 89 6.191 -3.548 4.306 1.00 0.29 C ATOM 1351 O ALA A 89 7.161 -4.205 3.927 1.00 0.33 O ATOM 1352 CB ALA A 89 3.816 -4.000 3.667 1.00 0.29 C ATOM 0 H ALA A 89 3.625 -3.165 6.000 1.00 0.26 H new ATOM 0 HA ALA A 89 5.105 -5.308 4.786 1.00 0.29 H new ATOM 0 HB1 ALA A 89 4.178 -4.327 2.692 1.00 0.29 H new ATOM 0 HB2 ALA A 89 2.920 -4.563 3.929 1.00 0.29 H new ATOM 0 HB3 ALA A 89 3.578 -2.937 3.628 1.00 0.29 H new ATOM 1358 N LEU A 90 6.198 -2.222 4.373 1.00 0.28 N ATOM 1359 CA LEU A 90 7.366 -1.429 3.989 1.00 0.31 C ATOM 1360 C LEU A 90 8.630 -1.851 4.739 1.00 0.35 C ATOM 1361 O LEU A 90 9.714 -1.891 4.156 1.00 0.39 O ATOM 1362 CB LEU A 90 7.094 0.060 4.227 1.00 0.33 C ATOM 1363 CG LEU A 90 6.424 0.806 3.065 1.00 0.33 C ATOM 1364 CD1 LEU A 90 7.347 0.858 1.856 1.00 0.39 C ATOM 1365 CD2 LEU A 90 5.098 0.156 2.696 1.00 0.32 C ATOM 0 H LEU A 90 5.403 -1.668 4.692 1.00 0.28 H new ATOM 0 HA LEU A 90 7.540 -1.609 2.928 1.00 0.31 H new ATOM 0 HB2 LEU A 90 6.463 0.159 5.110 1.00 0.33 H new ATOM 0 HB3 LEU A 90 8.040 0.552 4.454 1.00 0.33 H new ATOM 0 HG LEU A 90 6.224 1.827 3.390 1.00 0.33 H new ATOM 0 HD11 LEU A 90 6.853 1.391 1.044 1.00 0.39 H new ATOM 0 HD12 LEU A 90 8.268 1.377 2.123 1.00 0.39 H new ATOM 0 HD13 LEU A 90 7.582 -0.156 1.534 1.00 0.39 H new ATOM 0 HD21 LEU A 90 4.642 0.702 1.870 1.00 0.32 H new ATOM 0 HD22 LEU A 90 5.271 -0.878 2.396 1.00 0.32 H new ATOM 0 HD23 LEU A 90 4.430 0.177 3.557 1.00 0.32 H new ATOM 1377 N GLN A 91 8.498 -2.166 6.026 1.00 0.37 N ATOM 1378 CA GLN A 91 9.653 -2.566 6.831 1.00 0.43 C ATOM 1379 C GLN A 91 10.215 -3.910 6.372 1.00 0.39 C ATOM 1380 O GLN A 91 11.288 -4.325 6.811 1.00 0.43 O ATOM 1381 CB GLN A 91 9.284 -2.633 8.315 1.00 0.52 C ATOM 1382 CG GLN A 91 8.317 -3.752 8.661 1.00 1.07 C ATOM 1383 CD GLN A 91 7.979 -3.792 10.139 1.00 1.32 C ATOM 1384 OE1 GLN A 91 7.022 -3.160 10.587 1.00 1.87 O ATOM 1385 NE2 GLN A 91 8.768 -4.536 10.907 1.00 1.80 N ATOM 0 H GLN A 91 7.612 -2.153 6.531 1.00 0.37 H new ATOM 0 HA GLN A 91 10.424 -1.808 6.692 1.00 0.43 H new ATOM 0 HB2 GLN A 91 10.195 -2.760 8.900 1.00 0.52 H new ATOM 0 HB3 GLN A 91 8.844 -1.681 8.613 1.00 0.52 H new ATOM 0 HG2 GLN A 91 7.400 -3.626 8.085 1.00 1.07 H new ATOM 0 HG3 GLN A 91 8.751 -4.707 8.365 1.00 1.07 H new ATOM 0 HE21 GLN A 91 9.550 -5.044 10.494 1.00 1.80 H new ATOM 0 HE22 GLN A 91 8.591 -4.600 11.910 1.00 1.80 H new ATOM 1394 N LEU A 92 9.487 -4.585 5.489 1.00 0.37 N ATOM 1395 CA LEU A 92 9.915 -5.881 4.973 1.00 0.36 C ATOM 1396 C LEU A 92 10.472 -5.750 3.557 1.00 0.32 C ATOM 1397 O LEU A 92 11.019 -6.705 3.005 1.00 0.39 O ATOM 1398 CB LEU A 92 8.743 -6.865 4.981 1.00 0.38 C ATOM 1399 CG LEU A 92 8.150 -7.155 6.362 1.00 0.59 C ATOM 1400 CD1 LEU A 92 6.876 -7.976 6.232 1.00 1.17 C ATOM 1401 CD2 LEU A 92 9.163 -7.880 7.235 1.00 1.31 C ATOM 0 H LEU A 92 8.597 -4.256 5.115 1.00 0.37 H new ATOM 0 HA LEU A 92 10.706 -6.258 5.621 1.00 0.36 H new ATOM 0 HB2 LEU A 92 7.954 -6.472 4.339 1.00 0.38 H new ATOM 0 HB3 LEU A 92 9.075 -7.805 4.540 1.00 0.38 H new ATOM 0 HG LEU A 92 7.902 -6.206 6.837 1.00 0.59 H new ATOM 0 HD11 LEU A 92 6.468 -8.173 7.223 1.00 1.17 H new ATOM 0 HD12 LEU A 92 6.145 -7.423 5.642 1.00 1.17 H new ATOM 0 HD13 LEU A 92 7.101 -8.921 5.738 1.00 1.17 H new ATOM 0 HD21 LEU A 92 8.725 -8.078 8.213 1.00 1.31 H new ATOM 0 HD22 LEU A 92 9.440 -8.823 6.764 1.00 1.31 H new ATOM 0 HD23 LEU A 92 10.051 -7.259 7.354 1.00 1.31 H new ATOM 1413 N MET A 93 10.332 -4.562 2.976 1.00 0.31 N ATOM 1414 CA MET A 93 10.812 -4.303 1.628 1.00 0.33 C ATOM 1415 C MET A 93 12.285 -3.893 1.623 1.00 0.23 C ATOM 1416 O MET A 93 12.629 -2.801 2.077 1.00 0.23 O ATOM 1417 CB MET A 93 9.971 -3.200 0.990 1.00 0.45 C ATOM 1418 CG MET A 93 8.521 -3.594 0.776 1.00 1.05 C ATOM 1419 SD MET A 93 7.543 -2.279 0.027 1.00 1.05 S ATOM 1420 CE MET A 93 5.905 -3.000 0.102 1.00 1.66 C ATOM 0 H MET A 93 9.887 -3.761 3.423 1.00 0.31 H new ATOM 0 HA MET A 93 10.718 -5.225 1.054 1.00 0.33 H new ATOM 0 HB2 MET A 93 10.009 -2.313 1.622 1.00 0.45 H new ATOM 0 HB3 MET A 93 10.411 -2.927 0.031 1.00 0.45 H new ATOM 0 HG2 MET A 93 8.480 -4.478 0.140 1.00 1.05 H new ATOM 0 HG3 MET A 93 8.079 -3.869 1.734 1.00 1.05 H new ATOM 0 HE1 MET A 93 5.544 -3.189 -0.909 1.00 1.66 H new ATOM 0 HE2 MET A 93 5.946 -3.939 0.654 1.00 1.66 H new ATOM 0 HE3 MET A 93 5.227 -2.311 0.606 1.00 1.66 H new ATOM 1430 N PRO A 94 13.181 -4.762 1.114 1.00 0.25 N ATOM 1431 CA PRO A 94 14.613 -4.461 1.045 1.00 0.23 C ATOM 1432 C PRO A 94 14.921 -3.464 -0.067 1.00 0.21 C ATOM 1433 O PRO A 94 14.252 -3.452 -1.098 1.00 0.21 O ATOM 1434 CB PRO A 94 15.243 -5.819 0.740 1.00 0.31 C ATOM 1435 CG PRO A 94 14.187 -6.557 -0.006 1.00 0.44 C ATOM 1436 CD PRO A 94 12.873 -6.103 0.573 1.00 0.37 C ATOM 0 HA PRO A 94 14.990 -4.004 1.960 1.00 0.23 H new ATOM 0 HB2 PRO A 94 16.149 -5.712 0.144 1.00 0.31 H new ATOM 0 HB3 PRO A 94 15.523 -6.342 1.655 1.00 0.31 H new ATOM 0 HG2 PRO A 94 14.239 -6.339 -1.073 1.00 0.44 H new ATOM 0 HG3 PRO A 94 14.311 -7.634 0.106 1.00 0.44 H new ATOM 0 HD2 PRO A 94 12.093 -6.060 -0.187 1.00 0.37 H new ATOM 0 HD3 PRO A 94 12.522 -6.780 1.352 1.00 0.37 H new ATOM 1444 N ALA A 95 15.931 -2.626 0.150 1.00 0.24 N ATOM 1445 CA ALA A 95 16.316 -1.621 -0.837 1.00 0.27 C ATOM 1446 C ALA A 95 16.486 -2.233 -2.225 1.00 0.27 C ATOM 1447 O ALA A 95 17.223 -3.200 -2.397 1.00 0.31 O ATOM 1448 CB ALA A 95 17.606 -0.940 -0.404 1.00 0.36 C ATOM 0 H ALA A 95 16.497 -2.623 0.999 1.00 0.24 H new ATOM 0 HA ALA A 95 15.516 -0.883 -0.896 1.00 0.27 H new ATOM 0 HB1 ALA A 95 17.888 -0.191 -1.144 1.00 0.36 H new ATOM 0 HB2 ALA A 95 17.456 -0.457 0.562 1.00 0.36 H new ATOM 0 HB3 ALA A 95 18.399 -1.683 -0.319 1.00 0.36 H new ATOM 1454 N GLY A 96 15.800 -1.659 -3.211 1.00 0.27 N ATOM 1455 CA GLY A 96 15.900 -2.157 -4.573 1.00 0.28 C ATOM 1456 C GLY A 96 14.798 -3.141 -4.932 1.00 0.28 C ATOM 1457 O GLY A 96 14.656 -3.520 -6.094 1.00 0.34 O ATOM 0 H GLY A 96 15.178 -0.860 -3.091 1.00 0.27 H new ATOM 0 HA2 GLY A 96 15.866 -1.315 -5.264 1.00 0.28 H new ATOM 0 HA3 GLY A 96 16.868 -2.640 -4.706 1.00 0.28 H new ATOM 1461 N SER A 97 14.018 -3.553 -3.938 1.00 0.24 N ATOM 1462 CA SER A 97 12.929 -4.501 -4.163 1.00 0.24 C ATOM 1463 C SER A 97 11.786 -3.861 -4.943 1.00 0.19 C ATOM 1464 O SER A 97 11.872 -2.705 -5.357 1.00 0.21 O ATOM 1465 CB SER A 97 12.408 -5.040 -2.830 1.00 0.28 C ATOM 1466 OG SER A 97 11.831 -4.006 -2.049 1.00 1.41 O ATOM 0 H SER A 97 14.118 -3.247 -2.970 1.00 0.24 H new ATOM 0 HA SER A 97 13.326 -5.326 -4.755 1.00 0.24 H new ATOM 0 HB2 SER A 97 11.666 -5.817 -3.014 1.00 0.28 H new ATOM 0 HB3 SER A 97 13.225 -5.504 -2.278 1.00 0.28 H new ATOM 0 HG SER A 97 12.508 -3.636 -1.445 1.00 1.41 H new ATOM 1472 N THR A 98 10.717 -4.627 -5.134 1.00 0.17 N ATOM 1473 CA THR A 98 9.552 -4.159 -5.871 1.00 0.14 C ATOM 1474 C THR A 98 8.323 -4.985 -5.512 1.00 0.13 C ATOM 1475 O THR A 98 8.115 -6.071 -6.051 1.00 0.23 O ATOM 1476 CB THR A 98 9.780 -4.251 -7.391 1.00 0.16 C ATOM 1477 OG1 THR A 98 11.019 -3.625 -7.741 1.00 0.20 O ATOM 1478 CG2 THR A 98 8.639 -3.594 -8.153 1.00 0.18 C ATOM 0 H THR A 98 10.635 -5.582 -4.785 1.00 0.17 H new ATOM 0 HA THR A 98 9.392 -3.117 -5.594 1.00 0.14 H new ATOM 0 HB THR A 98 9.817 -5.305 -7.665 1.00 0.16 H new ATOM 0 HG1 THR A 98 10.878 -2.662 -7.856 1.00 0.20 H new ATOM 0 HG21 THR A 98 8.824 -3.673 -9.224 1.00 0.18 H new ATOM 0 HG22 THR A 98 7.702 -4.095 -7.909 1.00 0.18 H new ATOM 0 HG23 THR A 98 8.572 -2.543 -7.873 1.00 0.18 H new ATOM 1486 N TRP A 99 7.512 -4.469 -4.597 1.00 0.16 N ATOM 1487 CA TRP A 99 6.308 -5.170 -4.171 1.00 0.15 C ATOM 1488 C TRP A 99 5.047 -4.406 -4.551 1.00 0.16 C ATOM 1489 O TRP A 99 5.039 -3.175 -4.610 1.00 0.18 O ATOM 1490 CB TRP A 99 6.315 -5.372 -2.653 1.00 0.19 C ATOM 1491 CG TRP A 99 7.192 -6.489 -2.169 1.00 0.17 C ATOM 1492 CD1 TRP A 99 7.995 -7.301 -2.918 1.00 0.25 C ATOM 1493 CD2 TRP A 99 7.342 -6.917 -0.812 1.00 0.26 C ATOM 1494 NE1 TRP A 99 8.639 -8.203 -2.106 1.00 0.29 N ATOM 1495 CE2 TRP A 99 8.255 -7.987 -0.808 1.00 0.28 C ATOM 1496 CE3 TRP A 99 6.794 -6.493 0.401 1.00 0.42 C ATOM 1497 CZ2 TRP A 99 8.631 -8.640 0.364 1.00 0.38 C ATOM 1498 CZ3 TRP A 99 7.166 -7.141 1.563 1.00 0.53 C ATOM 1499 CH2 TRP A 99 8.077 -8.203 1.538 1.00 0.49 C ATOM 0 H TRP A 99 7.665 -3.571 -4.137 1.00 0.16 H new ATOM 0 HA TRP A 99 6.305 -6.134 -4.680 1.00 0.15 H new ATOM 0 HB2 TRP A 99 6.637 -4.445 -2.179 1.00 0.19 H new ATOM 0 HB3 TRP A 99 5.294 -5.561 -2.321 1.00 0.19 H new ATOM 0 HD1 TRP A 99 8.107 -7.243 -3.991 1.00 0.25 H new ATOM 0 HE1 TRP A 99 9.296 -8.918 -2.418 1.00 0.29 H new ATOM 0 HE3 TRP A 99 6.092 -5.673 0.430 1.00 0.42 H new ATOM 0 HZ2 TRP A 99 9.333 -9.460 0.347 1.00 0.38 H new ATOM 0 HZ3 TRP A 99 6.747 -6.823 2.506 1.00 0.53 H new ATOM 0 HH2 TRP A 99 8.349 -8.688 2.464 1.00 0.49 H new ATOM 1510 N GLU A 100 3.982 -5.154 -4.807 1.00 0.17 N ATOM 1511 CA GLU A 100 2.686 -4.577 -5.129 1.00 0.20 C ATOM 1512 C GLU A 100 1.722 -4.948 -4.015 1.00 0.19 C ATOM 1513 O GLU A 100 1.292 -6.096 -3.922 1.00 0.19 O ATOM 1514 CB GLU A 100 2.184 -5.106 -6.477 1.00 0.27 C ATOM 1515 CG GLU A 100 0.710 -4.841 -6.731 1.00 0.95 C ATOM 1516 CD GLU A 100 0.284 -5.210 -8.138 1.00 0.95 C ATOM 1517 OE1 GLU A 100 0.061 -6.412 -8.394 1.00 1.37 O ATOM 1518 OE2 GLU A 100 0.173 -4.298 -8.984 1.00 1.20 O ATOM 0 H GLU A 100 3.993 -6.174 -4.797 1.00 0.17 H new ATOM 0 HA GLU A 100 2.764 -3.493 -5.212 1.00 0.20 H new ATOM 0 HB2 GLU A 100 2.768 -4.649 -7.276 1.00 0.27 H new ATOM 0 HB3 GLU A 100 2.364 -6.180 -6.525 1.00 0.27 H new ATOM 0 HG2 GLU A 100 0.114 -5.407 -6.015 1.00 0.95 H new ATOM 0 HG3 GLU A 100 0.499 -3.786 -6.557 1.00 0.95 H new ATOM 1525 N ILE A 101 1.366 -3.978 -3.182 1.00 0.18 N ATOM 1526 CA ILE A 101 0.500 -4.251 -2.049 1.00 0.18 C ATOM 1527 C ILE A 101 -0.857 -3.562 -2.138 1.00 0.18 C ATOM 1528 O ILE A 101 -0.970 -2.417 -2.573 1.00 0.19 O ATOM 1529 CB ILE A 101 1.188 -3.837 -0.731 1.00 0.20 C ATOM 1530 CG1 ILE A 101 1.276 -2.311 -0.618 1.00 0.18 C ATOM 1531 CG2 ILE A 101 2.576 -4.456 -0.645 1.00 0.25 C ATOM 1532 CD1 ILE A 101 2.014 -1.833 0.617 1.00 0.22 C ATOM 0 H ILE A 101 1.661 -3.006 -3.270 1.00 0.18 H new ATOM 0 HA ILE A 101 0.320 -5.326 -2.067 1.00 0.18 H new ATOM 0 HB ILE A 101 0.587 -4.205 0.100 1.00 0.20 H new ATOM 0 HG12 ILE A 101 1.775 -1.918 -1.504 1.00 0.18 H new ATOM 0 HG13 ILE A 101 0.268 -1.897 -0.611 1.00 0.18 H new ATOM 0 HG21 ILE A 101 3.051 -4.156 0.289 1.00 0.25 H new ATOM 0 HG22 ILE A 101 2.493 -5.542 -0.677 1.00 0.25 H new ATOM 0 HG23 ILE A 101 3.180 -4.113 -1.485 1.00 0.25 H new ATOM 0 HD11 ILE A 101 2.036 -0.743 0.629 1.00 0.22 H new ATOM 0 HD12 ILE A 101 1.503 -2.195 1.509 1.00 0.22 H new ATOM 0 HD13 ILE A 101 3.034 -2.216 0.602 1.00 0.22 H new ATOM 1544 N TYR A 102 -1.880 -4.295 -1.719 1.00 0.21 N ATOM 1545 CA TYR A 102 -3.248 -3.794 -1.686 1.00 0.22 C ATOM 1546 C TYR A 102 -3.740 -3.866 -0.246 1.00 0.22 C ATOM 1547 O TYR A 102 -4.053 -4.943 0.258 1.00 0.21 O ATOM 1548 CB TYR A 102 -4.151 -4.615 -2.616 1.00 0.21 C ATOM 1549 CG TYR A 102 -3.612 -5.996 -2.923 1.00 0.22 C ATOM 1550 CD1 TYR A 102 -2.726 -6.198 -3.975 1.00 0.22 C ATOM 1551 CD2 TYR A 102 -3.986 -7.093 -2.160 1.00 0.24 C ATOM 1552 CE1 TYR A 102 -2.228 -7.456 -4.255 1.00 0.25 C ATOM 1553 CE2 TYR A 102 -3.490 -8.353 -2.433 1.00 0.27 C ATOM 1554 CZ TYR A 102 -2.612 -8.528 -3.481 1.00 0.27 C ATOM 1555 OH TYR A 102 -2.114 -9.782 -3.754 1.00 0.31 O ATOM 0 H TYR A 102 -1.784 -5.256 -1.392 1.00 0.21 H new ATOM 0 HA TYR A 102 -3.278 -2.763 -2.038 1.00 0.22 H new ATOM 0 HB2 TYR A 102 -5.136 -4.712 -2.159 1.00 0.21 H new ATOM 0 HB3 TYR A 102 -4.286 -4.071 -3.551 1.00 0.21 H new ATOM 0 HD1 TYR A 102 -2.422 -5.359 -4.583 1.00 0.22 H new ATOM 0 HD2 TYR A 102 -4.676 -6.960 -1.340 1.00 0.24 H new ATOM 0 HE1 TYR A 102 -1.541 -7.598 -5.076 1.00 0.25 H new ATOM 0 HE2 TYR A 102 -3.789 -9.197 -1.828 1.00 0.27 H new ATOM 0 HH TYR A 102 -1.765 -10.182 -2.930 1.00 0.31 H new ATOM 1565 N VAL A 103 -3.793 -2.712 0.412 1.00 0.26 N ATOM 1566 CA VAL A 103 -4.186 -2.642 1.817 1.00 0.29 C ATOM 1567 C VAL A 103 -5.678 -2.375 2.022 1.00 0.29 C ATOM 1568 O VAL A 103 -6.117 -1.227 1.954 1.00 0.38 O ATOM 1569 CB VAL A 103 -3.391 -1.536 2.540 1.00 0.39 C ATOM 1570 CG1 VAL A 103 -3.748 -1.485 4.016 1.00 0.52 C ATOM 1571 CG2 VAL A 103 -1.897 -1.745 2.354 1.00 0.33 C ATOM 0 H VAL A 103 -3.568 -1.809 -0.006 1.00 0.26 H new ATOM 0 HA VAL A 103 -3.964 -3.624 2.235 1.00 0.29 H new ATOM 0 HB VAL A 103 -3.662 -0.578 2.096 1.00 0.39 H new ATOM 0 HG11 VAL A 103 -3.173 -0.697 4.502 1.00 0.52 H new ATOM 0 HG12 VAL A 103 -4.813 -1.279 4.126 1.00 0.52 H new ATOM 0 HG13 VAL A 103 -3.514 -2.443 4.480 1.00 0.52 H new ATOM 0 HG21 VAL A 103 -1.352 -0.955 2.871 1.00 0.33 H new ATOM 0 HG22 VAL A 103 -1.611 -2.713 2.766 1.00 0.33 H new ATOM 0 HG23 VAL A 103 -1.655 -1.717 1.292 1.00 0.33 H new ATOM 1581 N PRO A 104 -6.484 -3.428 2.276 1.00 0.28 N ATOM 1582 CA PRO A 104 -7.911 -3.271 2.542 1.00 0.34 C ATOM 1583 C PRO A 104 -8.161 -2.267 3.660 1.00 0.34 C ATOM 1584 O PRO A 104 -7.321 -2.092 4.543 1.00 0.31 O ATOM 1585 CB PRO A 104 -8.379 -4.668 2.976 1.00 0.39 C ATOM 1586 CG PRO A 104 -7.138 -5.480 3.154 1.00 0.48 C ATOM 1587 CD PRO A 104 -6.089 -4.844 2.289 1.00 0.33 C ATOM 0 HA PRO A 104 -8.444 -2.896 1.668 1.00 0.34 H new ATOM 0 HB2 PRO A 104 -8.949 -4.618 3.904 1.00 0.39 H new ATOM 0 HB3 PRO A 104 -9.032 -5.112 2.224 1.00 0.39 H new ATOM 0 HG2 PRO A 104 -6.827 -5.490 4.199 1.00 0.48 H new ATOM 0 HG3 PRO A 104 -7.307 -6.516 2.862 1.00 0.48 H new ATOM 0 HD2 PRO A 104 -5.089 -4.980 2.701 1.00 0.33 H new ATOM 0 HD3 PRO A 104 -6.081 -5.270 1.286 1.00 0.33 H new ATOM 1595 N SER A 105 -9.304 -1.603 3.608 1.00 0.45 N ATOM 1596 CA SER A 105 -9.664 -0.605 4.610 1.00 0.51 C ATOM 1597 C SER A 105 -9.449 -1.113 6.040 1.00 0.44 C ATOM 1598 O SER A 105 -8.907 -0.401 6.887 1.00 0.48 O ATOM 1599 CB SER A 105 -11.131 -0.210 4.429 1.00 0.66 C ATOM 1600 OG SER A 105 -11.931 -1.344 4.139 1.00 1.81 O ATOM 0 H SER A 105 -10.005 -1.736 2.879 1.00 0.45 H new ATOM 0 HA SER A 105 -9.013 0.257 4.464 1.00 0.51 H new ATOM 0 HB2 SER A 105 -11.495 0.274 5.335 1.00 0.66 H new ATOM 0 HB3 SER A 105 -11.218 0.517 3.622 1.00 0.66 H new ATOM 0 HG SER A 105 -12.828 -1.052 3.873 1.00 1.81 H new ATOM 1606 N GLY A 106 -9.851 -2.353 6.288 1.00 0.38 N ATOM 1607 CA GLY A 106 -9.745 -2.941 7.618 1.00 0.36 C ATOM 1608 C GLY A 106 -8.342 -2.968 8.210 1.00 0.36 C ATOM 1609 O GLY A 106 -8.185 -3.286 9.390 1.00 0.40 O ATOM 0 H GLY A 106 -10.254 -2.972 5.585 1.00 0.38 H new ATOM 0 HA2 GLY A 106 -10.396 -2.387 8.295 1.00 0.36 H new ATOM 0 HA3 GLY A 106 -10.123 -3.962 7.576 1.00 0.36 H new ATOM 1613 N LEU A 107 -7.321 -2.640 7.424 1.00 0.37 N ATOM 1614 CA LEU A 107 -5.945 -2.686 7.933 1.00 0.42 C ATOM 1615 C LEU A 107 -5.482 -1.352 8.521 1.00 0.45 C ATOM 1616 O LEU A 107 -4.520 -1.316 9.288 1.00 0.57 O ATOM 1617 CB LEU A 107 -4.975 -3.128 6.835 1.00 0.61 C ATOM 1618 CG LEU A 107 -5.297 -4.466 6.166 1.00 1.21 C ATOM 1619 CD1 LEU A 107 -4.181 -4.860 5.211 1.00 2.35 C ATOM 1620 CD2 LEU A 107 -5.521 -5.556 7.205 1.00 1.60 C ATOM 0 H LEU A 107 -7.411 -2.345 6.452 1.00 0.37 H new ATOM 0 HA LEU A 107 -5.944 -3.417 8.742 1.00 0.42 H new ATOM 0 HB2 LEU A 107 -4.948 -2.355 6.067 1.00 0.61 H new ATOM 0 HB3 LEU A 107 -3.974 -3.188 7.262 1.00 0.61 H new ATOM 0 HG LEU A 107 -6.219 -4.350 5.597 1.00 1.21 H new ATOM 0 HD11 LEU A 107 -4.423 -5.814 4.742 1.00 2.35 H new ATOM 0 HD12 LEU A 107 -4.073 -4.095 4.442 1.00 2.35 H new ATOM 0 HD13 LEU A 107 -3.246 -4.954 5.763 1.00 2.35 H new ATOM 0 HD21 LEU A 107 -5.748 -6.496 6.703 1.00 1.60 H new ATOM 0 HD22 LEU A 107 -4.621 -5.675 7.808 1.00 1.60 H new ATOM 0 HD23 LEU A 107 -6.355 -5.278 7.850 1.00 1.60 H new ATOM 1632 N ALA A 108 -6.153 -0.260 8.170 1.00 0.45 N ATOM 1633 CA ALA A 108 -5.764 1.053 8.681 1.00 0.60 C ATOM 1634 C ALA A 108 -6.961 1.815 9.260 1.00 0.67 C ATOM 1635 O ALA A 108 -7.666 1.305 10.132 1.00 1.03 O ATOM 1636 CB ALA A 108 -5.083 1.852 7.580 1.00 0.66 C ATOM 0 H ALA A 108 -6.958 -0.255 7.543 1.00 0.45 H new ATOM 0 HA ALA A 108 -5.059 0.907 9.499 1.00 0.60 H new ATOM 0 HB1 ALA A 108 -4.795 2.830 7.965 1.00 0.66 H new ATOM 0 HB2 ALA A 108 -4.195 1.320 7.240 1.00 0.66 H new ATOM 0 HB3 ALA A 108 -5.771 1.980 6.744 1.00 0.66 H new ATOM 1642 N TYR A 109 -7.188 3.034 8.773 1.00 0.54 N ATOM 1643 CA TYR A 109 -8.295 3.861 9.242 1.00 0.68 C ATOM 1644 C TYR A 109 -9.545 3.584 8.414 1.00 1.04 C ATOM 1645 O TYR A 109 -10.574 4.240 8.574 1.00 1.44 O ATOM 1646 CB TYR A 109 -7.920 5.343 9.146 1.00 0.59 C ATOM 1647 CG TYR A 109 -6.667 5.706 9.916 1.00 0.56 C ATOM 1648 CD1 TYR A 109 -6.721 5.947 11.283 1.00 0.72 C ATOM 1649 CD2 TYR A 109 -5.432 5.809 9.279 1.00 0.56 C ATOM 1650 CE1 TYR A 109 -5.584 6.279 11.995 1.00 0.98 C ATOM 1651 CE2 TYR A 109 -4.293 6.142 9.986 1.00 0.79 C ATOM 1652 CZ TYR A 109 -4.374 6.376 11.343 1.00 1.03 C ATOM 1653 OH TYR A 109 -3.241 6.708 12.049 1.00 1.35 O ATOM 0 H TYR A 109 -6.616 3.471 8.050 1.00 0.54 H new ATOM 0 HA TYR A 109 -8.501 3.615 10.284 1.00 0.68 H new ATOM 0 HB2 TYR A 109 -7.780 5.606 8.097 1.00 0.59 H new ATOM 0 HB3 TYR A 109 -8.751 5.943 9.517 1.00 0.59 H new ATOM 0 HD1 TYR A 109 -7.667 5.874 11.798 1.00 0.72 H new ATOM 0 HD2 TYR A 109 -5.364 5.626 8.217 1.00 0.56 H new ATOM 0 HE1 TYR A 109 -5.644 6.462 13.058 1.00 0.98 H new ATOM 0 HE2 TYR A 109 -3.343 6.219 9.478 1.00 0.79 H new ATOM 0 HH TYR A 109 -2.473 6.733 11.441 1.00 1.35 H new ATOM 1663 N GLY A 110 -9.424 2.607 7.523 1.00 1.04 N ATOM 1664 CA GLY A 110 -10.513 2.222 6.643 1.00 1.58 C ATOM 1665 C GLY A 110 -11.896 2.243 7.283 1.00 0.83 C ATOM 1666 O GLY A 110 -12.657 3.190 7.086 1.00 0.93 O ATOM 0 H GLY A 110 -8.571 2.063 7.393 1.00 1.04 H new ATOM 0 HA2 GLY A 110 -10.518 2.890 5.782 1.00 1.58 H new ATOM 0 HA3 GLY A 110 -10.318 1.218 6.267 1.00 1.58 H new ATOM 1670 N PRO A 111 -12.243 1.205 8.067 1.00 0.51 N ATOM 1671 CA PRO A 111 -13.562 1.081 8.708 1.00 0.83 C ATOM 1672 C PRO A 111 -13.931 2.266 9.595 1.00 1.02 C ATOM 1673 O PRO A 111 -15.072 2.375 10.045 1.00 1.49 O ATOM 1674 CB PRO A 111 -13.439 -0.194 9.556 1.00 1.41 C ATOM 1675 CG PRO A 111 -11.975 -0.458 9.655 1.00 1.39 C ATOM 1676 CD PRO A 111 -11.385 0.058 8.378 1.00 0.88 C ATOM 0 HA PRO A 111 -14.352 1.048 7.957 1.00 0.83 H new ATOM 0 HB2 PRO A 111 -13.882 -0.055 10.542 1.00 1.41 H new ATOM 0 HB3 PRO A 111 -13.959 -1.030 9.088 1.00 1.41 H new ATOM 0 HG2 PRO A 111 -11.543 0.048 10.519 1.00 1.39 H new ATOM 0 HG3 PRO A 111 -11.776 -1.523 9.777 1.00 1.39 H new ATOM 0 HD2 PRO A 111 -10.343 0.354 8.504 1.00 0.88 H new ATOM 0 HD3 PRO A 111 -11.410 -0.693 7.588 1.00 0.88 H new ATOM 1684 N ARG A 112 -12.977 3.150 9.850 1.00 0.94 N ATOM 1685 CA ARG A 112 -13.244 4.323 10.670 1.00 1.23 C ATOM 1686 C ARG A 112 -13.950 5.388 9.838 1.00 0.85 C ATOM 1687 O ARG A 112 -13.615 5.596 8.670 1.00 0.72 O ATOM 1688 CB ARG A 112 -11.943 4.882 11.253 1.00 1.70 C ATOM 1689 CG ARG A 112 -11.258 3.941 12.232 1.00 2.18 C ATOM 1690 CD ARG A 112 -12.069 3.777 13.508 1.00 2.28 C ATOM 1691 NE ARG A 112 -11.394 2.923 14.482 1.00 2.49 N ATOM 1692 CZ ARG A 112 -11.874 2.669 15.696 1.00 2.87 C ATOM 1693 NH1 ARG A 112 -13.032 3.191 16.079 1.00 3.00 N ATOM 1694 NH2 ARG A 112 -11.196 1.889 16.527 1.00 3.51 N ATOM 0 H ARG A 112 -12.020 3.079 9.505 1.00 0.94 H new ATOM 0 HA ARG A 112 -13.891 4.030 11.497 1.00 1.23 H new ATOM 0 HB2 ARG A 112 -11.256 5.106 10.437 1.00 1.70 H new ATOM 0 HB3 ARG A 112 -12.157 5.824 11.757 1.00 1.70 H new ATOM 0 HG2 ARG A 112 -11.115 2.968 11.763 1.00 2.18 H new ATOM 0 HG3 ARG A 112 -10.268 4.326 12.476 1.00 2.18 H new ATOM 0 HD2 ARG A 112 -12.251 4.757 13.950 1.00 2.28 H new ATOM 0 HD3 ARG A 112 -13.043 3.351 13.266 1.00 2.28 H new ATOM 0 HE ARG A 112 -10.506 2.498 14.216 1.00 2.49 H new ATOM 0 HH11 ARG A 112 -13.557 3.789 15.442 1.00 3.00 H new ATOM 0 HH12 ARG A 112 -13.397 2.994 17.011 1.00 3.00 H new ATOM 0 HH21 ARG A 112 -10.307 1.484 16.235 1.00 3.51 H new ATOM 0 HH22 ARG A 112 -11.564 1.694 17.458 1.00 3.51 H new ATOM 1708 N SER A 113 -14.932 6.055 10.440 1.00 0.87 N ATOM 1709 CA SER A 113 -15.691 7.093 9.746 1.00 0.75 C ATOM 1710 C SER A 113 -14.794 8.258 9.348 1.00 0.91 C ATOM 1711 O SER A 113 -15.242 9.217 8.718 1.00 1.34 O ATOM 1712 CB SER A 113 -16.835 7.594 10.628 1.00 1.01 C ATOM 1713 OG SER A 113 -16.346 8.137 11.843 1.00 1.63 O ATOM 0 H SER A 113 -15.221 5.896 11.405 1.00 0.87 H new ATOM 0 HA SER A 113 -16.105 6.654 8.838 1.00 0.75 H new ATOM 0 HB2 SER A 113 -17.406 8.352 10.092 1.00 1.01 H new ATOM 0 HB3 SER A 113 -17.519 6.773 10.843 1.00 1.01 H new ATOM 0 HG SER A 113 -17.098 8.451 12.387 1.00 1.63 H new ATOM 1719 N VAL A 114 -13.526 8.165 9.722 1.00 1.07 N ATOM 1720 CA VAL A 114 -12.550 9.198 9.411 1.00 1.57 C ATOM 1721 C VAL A 114 -11.537 8.690 8.382 1.00 1.35 C ATOM 1722 O VAL A 114 -10.336 8.618 8.646 1.00 1.61 O ATOM 1723 CB VAL A 114 -11.833 9.686 10.692 1.00 2.24 C ATOM 1724 CG1 VAL A 114 -11.111 8.541 11.389 1.00 2.89 C ATOM 1725 CG2 VAL A 114 -10.875 10.829 10.382 1.00 2.90 C ATOM 0 H VAL A 114 -13.147 7.376 10.246 1.00 1.07 H new ATOM 0 HA VAL A 114 -13.081 10.047 8.979 1.00 1.57 H new ATOM 0 HB VAL A 114 -12.594 10.063 11.375 1.00 2.24 H new ATOM 0 HG11 VAL A 114 -10.617 8.915 12.286 1.00 2.89 H new ATOM 0 HG12 VAL A 114 -11.832 7.771 11.666 1.00 2.89 H new ATOM 0 HG13 VAL A 114 -10.367 8.116 10.715 1.00 2.89 H new ATOM 0 HG21 VAL A 114 -10.385 11.152 11.300 1.00 2.90 H new ATOM 0 HG22 VAL A 114 -10.123 10.490 9.669 1.00 2.90 H new ATOM 0 HG23 VAL A 114 -11.431 11.664 9.954 1.00 2.90 H new ATOM 1735 N GLY A 115 -12.044 8.322 7.204 1.00 1.05 N ATOM 1736 CA GLY A 115 -11.191 7.818 6.139 1.00 0.96 C ATOM 1737 C GLY A 115 -9.898 8.601 5.999 1.00 0.87 C ATOM 1738 O GLY A 115 -9.883 9.689 5.423 1.00 0.97 O ATOM 0 H GLY A 115 -13.036 8.365 6.969 1.00 1.05 H new ATOM 0 HA2 GLY A 115 -10.957 6.771 6.332 1.00 0.96 H new ATOM 0 HA3 GLY A 115 -11.736 7.854 5.196 1.00 0.96 H new ATOM 1742 N GLY A 116 -8.811 8.046 6.534 1.00 0.80 N ATOM 1743 CA GLY A 116 -7.521 8.710 6.459 1.00 0.80 C ATOM 1744 C GLY A 116 -6.970 8.742 5.044 1.00 0.70 C ATOM 1745 O GLY A 116 -7.671 9.160 4.121 1.00 0.75 O ATOM 0 H GLY A 116 -8.802 7.148 7.018 1.00 0.80 H new ATOM 0 HA2 GLY A 116 -7.618 9.730 6.832 1.00 0.80 H new ATOM 0 HA3 GLY A 116 -6.813 8.198 7.111 1.00 0.80 H new ATOM 1749 N PRO A 117 -5.710 8.311 4.829 1.00 0.62 N ATOM 1750 CA PRO A 117 -5.111 8.306 3.492 1.00 0.60 C ATOM 1751 C PRO A 117 -5.903 7.420 2.540 1.00 0.53 C ATOM 1752 O PRO A 117 -6.049 7.729 1.357 1.00 0.59 O ATOM 1753 CB PRO A 117 -3.708 7.730 3.718 1.00 0.57 C ATOM 1754 CG PRO A 117 -3.447 7.884 5.178 1.00 0.70 C ATOM 1755 CD PRO A 117 -4.785 7.798 5.853 1.00 0.59 C ATOM 0 HA PRO A 117 -5.096 9.298 3.040 1.00 0.60 H new ATOM 0 HB2 PRO A 117 -3.660 6.683 3.419 1.00 0.57 H new ATOM 0 HB3 PRO A 117 -2.964 8.265 3.127 1.00 0.57 H new ATOM 0 HG2 PRO A 117 -2.778 7.103 5.539 1.00 0.70 H new ATOM 0 HG3 PRO A 117 -2.965 8.839 5.389 1.00 0.70 H new ATOM 0 HD2 PRO A 117 -5.027 6.774 6.138 1.00 0.59 H new ATOM 0 HD3 PRO A 117 -4.817 8.398 6.762 1.00 0.59 H new ATOM 1763 N ILE A 118 -6.409 6.315 3.075 1.00 0.44 N ATOM 1764 CA ILE A 118 -7.218 5.383 2.302 1.00 0.40 C ATOM 1765 C ILE A 118 -8.697 5.736 2.443 1.00 0.43 C ATOM 1766 O ILE A 118 -9.170 5.993 3.550 1.00 0.50 O ATOM 1767 CB ILE A 118 -6.982 3.926 2.757 1.00 0.33 C ATOM 1768 CG1 ILE A 118 -5.524 3.527 2.518 1.00 0.28 C ATOM 1769 CG2 ILE A 118 -7.926 2.976 2.031 1.00 0.35 C ATOM 1770 CD1 ILE A 118 -5.166 2.165 3.076 1.00 1.25 C ATOM 0 H ILE A 118 -6.271 6.042 4.048 1.00 0.44 H new ATOM 0 HA ILE A 118 -6.922 5.465 1.256 1.00 0.40 H new ATOM 0 HB ILE A 118 -7.190 3.858 3.825 1.00 0.33 H new ATOM 0 HG12 ILE A 118 -5.326 3.534 1.446 1.00 0.28 H new ATOM 0 HG13 ILE A 118 -4.873 4.277 2.968 1.00 0.28 H new ATOM 0 HG21 ILE A 118 -7.743 1.955 2.366 1.00 0.35 H new ATOM 0 HG22 ILE A 118 -8.958 3.251 2.250 1.00 0.35 H new ATOM 0 HG23 ILE A 118 -7.753 3.042 0.957 1.00 0.35 H new ATOM 0 HD11 ILE A 118 -4.118 1.951 2.869 1.00 1.25 H new ATOM 0 HD12 ILE A 118 -5.331 2.158 4.153 1.00 1.25 H new ATOM 0 HD13 ILE A 118 -5.791 1.404 2.608 1.00 1.25 H new ATOM 1782 N GLY A 119 -9.418 5.757 1.324 1.00 0.43 N ATOM 1783 CA GLY A 119 -10.835 6.084 1.364 1.00 0.48 C ATOM 1784 C GLY A 119 -11.576 5.300 2.433 1.00 0.45 C ATOM 1785 O GLY A 119 -11.221 4.153 2.709 1.00 0.40 O ATOM 0 H GLY A 119 -9.049 5.555 0.395 1.00 0.43 H new ATOM 0 HA2 GLY A 119 -10.954 7.151 1.551 1.00 0.48 H new ATOM 0 HA3 GLY A 119 -11.281 5.879 0.391 1.00 0.48 H new ATOM 1789 N PRO A 120 -12.614 5.889 3.062 1.00 0.52 N ATOM 1790 CA PRO A 120 -13.381 5.210 4.110 1.00 0.56 C ATOM 1791 C PRO A 120 -13.927 3.869 3.635 1.00 0.51 C ATOM 1792 O PRO A 120 -14.546 3.783 2.574 1.00 0.48 O ATOM 1793 CB PRO A 120 -14.530 6.182 4.420 1.00 0.64 C ATOM 1794 CG PRO A 120 -14.542 7.158 3.290 1.00 0.67 C ATOM 1795 CD PRO A 120 -13.127 7.241 2.798 1.00 0.59 C ATOM 0 HA PRO A 120 -12.766 4.982 4.981 1.00 0.56 H new ATOM 0 HB2 PRO A 120 -15.481 5.655 4.493 1.00 0.64 H new ATOM 0 HB3 PRO A 120 -14.371 6.687 5.373 1.00 0.64 H new ATOM 0 HG2 PRO A 120 -15.212 6.827 2.496 1.00 0.67 H new ATOM 0 HG3 PRO A 120 -14.897 8.134 3.621 1.00 0.67 H new ATOM 0 HD2 PRO A 120 -13.081 7.492 1.738 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -12.557 8.002 3.331 1.00 0.59 H new ATOM 1803 N ASN A 121 -13.705 2.830 4.438 1.00 0.55 N ATOM 1804 CA ASN A 121 -14.149 1.478 4.107 1.00 0.58 C ATOM 1805 C ASN A 121 -13.879 1.168 2.641 1.00 0.49 C ATOM 1806 O ASN A 121 -14.648 0.468 1.989 1.00 0.53 O ATOM 1807 CB ASN A 121 -15.642 1.332 4.398 1.00 0.68 C ATOM 1808 CG ASN A 121 -16.066 2.129 5.613 1.00 0.79 C ATOM 1809 OD1 ASN A 121 -16.045 1.632 6.739 1.00 1.12 O ATOM 1810 ND2 ASN A 121 -16.456 3.374 5.384 1.00 0.67 N ATOM 0 H ASN A 121 -13.216 2.901 5.330 1.00 0.55 H new ATOM 0 HA ASN A 121 -13.590 0.772 4.722 1.00 0.58 H new ATOM 0 HB2 ASN A 121 -16.214 1.662 3.531 1.00 0.68 H new ATOM 0 HB3 ASN A 121 -15.879 0.280 4.554 1.00 0.68 H new ATOM 0 HD21 ASN A 121 -16.756 3.965 6.159 1.00 0.67 H new ATOM 0 HD22 ASN A 121 -16.456 3.742 4.433 1.00 0.67 H new ATOM 1817 N GLU A 122 -12.774 1.696 2.133 1.00 0.40 N ATOM 1818 CA GLU A 122 -12.394 1.483 0.745 1.00 0.35 C ATOM 1819 C GLU A 122 -11.080 0.719 0.648 1.00 0.31 C ATOM 1820 O GLU A 122 -10.173 0.925 1.456 1.00 0.33 O ATOM 1821 CB GLU A 122 -12.285 2.825 0.021 1.00 0.35 C ATOM 1822 CG GLU A 122 -12.088 2.695 -1.479 1.00 1.09 C ATOM 1823 CD GLU A 122 -12.439 3.968 -2.223 1.00 1.24 C ATOM 1824 OE1 GLU A 122 -11.799 5.007 -1.957 1.00 1.73 O ATOM 1825 OE2 GLU A 122 -13.359 3.928 -3.065 1.00 1.60 O ATOM 0 H GLU A 122 -12.124 2.276 2.663 1.00 0.40 H new ATOM 0 HA GLU A 122 -13.167 0.882 0.266 1.00 0.35 H new ATOM 0 HB2 GLU A 122 -13.188 3.405 0.211 1.00 0.35 H new ATOM 0 HB3 GLU A 122 -11.451 3.388 0.441 1.00 0.35 H new ATOM 0 HG2 GLU A 122 -11.050 2.432 -1.684 1.00 1.09 H new ATOM 0 HG3 GLU A 122 -12.704 1.877 -1.854 1.00 1.09 H new ATOM 1832 N THR A 123 -10.978 -0.164 -0.338 1.00 0.26 N ATOM 1833 CA THR A 123 -9.759 -0.933 -0.539 1.00 0.24 C ATOM 1834 C THR A 123 -8.891 -0.247 -1.581 1.00 0.22 C ATOM 1835 O THR A 123 -9.359 0.088 -2.667 1.00 0.24 O ATOM 1836 CB THR A 123 -10.053 -2.379 -0.973 1.00 0.25 C ATOM 1837 OG1 THR A 123 -10.838 -3.038 0.027 1.00 0.29 O ATOM 1838 CG2 THR A 123 -8.759 -3.148 -1.192 1.00 0.24 C ATOM 0 H THR A 123 -11.721 -0.364 -1.007 1.00 0.26 H new ATOM 0 HA THR A 123 -9.233 -0.979 0.415 1.00 0.24 H new ATOM 0 HB THR A 123 -10.607 -2.350 -1.911 1.00 0.25 H new ATOM 0 HG1 THR A 123 -10.293 -3.719 0.474 1.00 0.29 H new ATOM 0 HG21 THR A 123 -8.990 -4.168 -1.498 1.00 0.24 H new ATOM 0 HG22 THR A 123 -8.172 -2.659 -1.970 1.00 0.24 H new ATOM 0 HG23 THR A 123 -8.186 -3.168 -0.265 1.00 0.24 H new ATOM 1846 N LEU A 124 -7.627 -0.045 -1.252 1.00 0.20 N ATOM 1847 CA LEU A 124 -6.715 0.642 -2.155 1.00 0.19 C ATOM 1848 C LEU A 124 -5.611 -0.274 -2.668 1.00 0.17 C ATOM 1849 O LEU A 124 -5.250 -1.262 -2.029 1.00 0.18 O ATOM 1850 CB LEU A 124 -6.091 1.828 -1.428 1.00 0.23 C ATOM 1851 CG LEU A 124 -6.315 3.185 -2.086 1.00 0.47 C ATOM 1852 CD1 LEU A 124 -6.583 4.239 -1.028 1.00 1.15 C ATOM 1853 CD2 LEU A 124 -5.108 3.566 -2.927 1.00 1.47 C ATOM 0 H LEU A 124 -7.209 -0.344 -0.371 1.00 0.20 H new ATOM 0 HA LEU A 124 -7.291 0.977 -3.018 1.00 0.19 H new ATOM 0 HB2 LEU A 124 -6.491 1.863 -0.415 1.00 0.23 H new ATOM 0 HB3 LEU A 124 -5.018 1.657 -1.342 1.00 0.23 H new ATOM 0 HG LEU A 124 -7.184 3.122 -2.740 1.00 0.47 H new ATOM 0 HD11 LEU A 124 -6.742 5.205 -1.508 1.00 1.15 H new ATOM 0 HD12 LEU A 124 -7.472 3.966 -0.460 1.00 1.15 H new ATOM 0 HD13 LEU A 124 -5.728 4.305 -0.355 1.00 1.15 H new ATOM 0 HD21 LEU A 124 -5.280 4.537 -3.392 1.00 1.47 H new ATOM 0 HD22 LEU A 124 -4.224 3.619 -2.292 1.00 1.47 H new ATOM 0 HD23 LEU A 124 -4.953 2.815 -3.702 1.00 1.47 H new ATOM 1865 N ILE A 125 -5.086 0.074 -3.837 1.00 0.15 N ATOM 1866 CA ILE A 125 -3.996 -0.663 -4.454 1.00 0.14 C ATOM 1867 C ILE A 125 -2.755 0.210 -4.503 1.00 0.13 C ATOM 1868 O ILE A 125 -2.842 1.409 -4.768 1.00 0.16 O ATOM 1869 CB ILE A 125 -4.340 -1.100 -5.887 1.00 0.14 C ATOM 1870 CG1 ILE A 125 -5.670 -1.837 -5.909 1.00 0.17 C ATOM 1871 CG2 ILE A 125 -3.234 -1.978 -6.456 1.00 0.17 C ATOM 1872 CD1 ILE A 125 -6.866 -0.931 -6.112 1.00 0.20 C ATOM 0 H ILE A 125 -5.406 0.875 -4.382 1.00 0.15 H new ATOM 0 HA ILE A 125 -3.821 -1.554 -3.851 1.00 0.14 H new ATOM 0 HB ILE A 125 -4.427 -0.210 -6.510 1.00 0.14 H new ATOM 0 HG12 ILE A 125 -5.650 -2.581 -6.706 1.00 0.17 H new ATOM 0 HG13 ILE A 125 -5.791 -2.378 -4.971 1.00 0.17 H new ATOM 0 HG21 ILE A 125 -3.494 -2.278 -7.471 1.00 0.17 H new ATOM 0 HG22 ILE A 125 -2.298 -1.420 -6.471 1.00 0.17 H new ATOM 0 HG23 ILE A 125 -3.117 -2.865 -5.834 1.00 0.17 H new ATOM 0 HD11 ILE A 125 -7.778 -1.528 -6.116 1.00 0.20 H new ATOM 0 HD12 ILE A 125 -6.913 -0.203 -5.302 1.00 0.20 H new ATOM 0 HD13 ILE A 125 -6.770 -0.409 -7.064 1.00 0.20 H new ATOM 1884 N PHE A 126 -1.603 -0.389 -4.252 1.00 0.13 N ATOM 1885 CA PHE A 126 -0.355 0.355 -4.258 1.00 0.14 C ATOM 1886 C PHE A 126 0.738 -0.398 -5.002 1.00 0.14 C ATOM 1887 O PHE A 126 0.954 -1.589 -4.777 1.00 0.16 O ATOM 1888 CB PHE A 126 0.108 0.622 -2.822 1.00 0.16 C ATOM 1889 CG PHE A 126 -0.877 1.391 -1.985 1.00 0.16 C ATOM 1890 CD1 PHE A 126 -1.053 2.752 -2.170 1.00 0.19 C ATOM 1891 CD2 PHE A 126 -1.617 0.753 -1.000 1.00 0.18 C ATOM 1892 CE1 PHE A 126 -1.945 3.462 -1.391 1.00 0.23 C ATOM 1893 CE2 PHE A 126 -2.510 1.458 -0.216 1.00 0.22 C ATOM 1894 CZ PHE A 126 -2.676 2.815 -0.411 1.00 0.24 C ATOM 0 H PHE A 126 -1.506 -1.383 -4.043 1.00 0.13 H new ATOM 0 HA PHE A 126 -0.538 1.299 -4.771 1.00 0.14 H new ATOM 0 HB2 PHE A 126 0.313 -0.332 -2.336 1.00 0.16 H new ATOM 0 HB3 PHE A 126 1.048 1.173 -2.853 1.00 0.16 H new ATOM 0 HD1 PHE A 126 -0.486 3.264 -2.933 1.00 0.19 H new ATOM 0 HD2 PHE A 126 -1.493 -0.309 -0.844 1.00 0.18 H new ATOM 0 HE1 PHE A 126 -2.072 4.523 -1.547 1.00 0.23 H new ATOM 0 HE2 PHE A 126 -3.078 0.948 0.549 1.00 0.22 H new ATOM 0 HZ PHE A 126 -3.374 3.369 0.199 1.00 0.24 H new ATOM 1904 N LYS A 127 1.425 0.308 -5.892 1.00 0.14 N ATOM 1905 CA LYS A 127 2.528 -0.273 -6.642 1.00 0.15 C ATOM 1906 C LYS A 127 3.809 0.431 -6.224 1.00 0.16 C ATOM 1907 O LYS A 127 4.078 1.553 -6.651 1.00 0.19 O ATOM 1908 CB LYS A 127 2.302 -0.120 -8.149 1.00 0.18 C ATOM 1909 CG LYS A 127 2.815 -1.294 -8.973 1.00 0.89 C ATOM 1910 CD LYS A 127 4.327 -1.448 -8.878 1.00 1.23 C ATOM 1911 CE LYS A 127 5.053 -0.491 -9.813 1.00 1.62 C ATOM 1912 NZ LYS A 127 4.881 0.930 -9.405 1.00 2.28 N ATOM 0 H LYS A 127 1.236 1.286 -6.111 1.00 0.14 H new ATOM 0 HA LYS A 127 2.598 -1.339 -6.428 1.00 0.15 H new ATOM 0 HB2 LYS A 127 1.235 0.003 -8.336 1.00 0.18 H new ATOM 0 HB3 LYS A 127 2.793 0.792 -8.489 1.00 0.18 H new ATOM 0 HG2 LYS A 127 2.336 -2.212 -8.632 1.00 0.89 H new ATOM 0 HG3 LYS A 127 2.531 -1.155 -10.016 1.00 0.89 H new ATOM 0 HD2 LYS A 127 4.647 -1.266 -7.852 1.00 1.23 H new ATOM 0 HD3 LYS A 127 4.604 -2.474 -9.121 1.00 1.23 H new ATOM 0 HE2 LYS A 127 6.115 -0.737 -9.829 1.00 1.62 H new ATOM 0 HE3 LYS A 127 4.679 -0.624 -10.828 1.00 1.62 H new ATOM 0 HZ1 LYS A 127 5.679 1.493 -9.762 1.00 2.28 H new ATOM 0 HZ2 LYS A 127 3.993 1.300 -9.800 1.00 2.28 H new ATOM 0 HZ3 LYS A 127 4.850 0.992 -8.367 1.00 2.28 H new ATOM 1926 N ILE A 128 4.600 -0.231 -5.390 1.00 0.16 N ATOM 1927 CA ILE A 128 5.828 0.364 -4.887 1.00 0.19 C ATOM 1928 C ILE A 128 7.069 -0.189 -5.568 1.00 0.18 C ATOM 1929 O ILE A 128 7.246 -1.401 -5.686 1.00 0.22 O ATOM 1930 CB ILE A 128 5.967 0.155 -3.368 1.00 0.23 C ATOM 1931 CG1 ILE A 128 4.635 0.451 -2.669 1.00 0.31 C ATOM 1932 CG2 ILE A 128 7.077 1.039 -2.814 1.00 0.27 C ATOM 1933 CD1 ILE A 128 4.684 0.306 -1.163 1.00 0.82 C ATOM 0 H ILE A 128 4.414 -1.174 -5.050 1.00 0.16 H new ATOM 0 HA ILE A 128 5.755 1.428 -5.113 1.00 0.19 H new ATOM 0 HB ILE A 128 6.231 -0.885 -3.177 1.00 0.23 H new ATOM 0 HG12 ILE A 128 4.325 1.466 -2.916 1.00 0.31 H new ATOM 0 HG13 ILE A 128 3.872 -0.220 -3.064 1.00 0.31 H new ATOM 0 HG21 ILE A 128 7.165 0.882 -1.739 1.00 0.27 H new ATOM 0 HG22 ILE A 128 8.020 0.784 -3.297 1.00 0.27 H new ATOM 0 HG23 ILE A 128 6.841 2.085 -3.010 1.00 0.27 H new ATOM 0 HD11 ILE A 128 3.704 0.532 -0.744 1.00 0.82 H new ATOM 0 HD12 ILE A 128 4.962 -0.716 -0.905 1.00 0.82 H new ATOM 0 HD13 ILE A 128 5.421 0.997 -0.755 1.00 0.82 H new ATOM 1945 N HIS A 129 7.920 0.724 -6.015 1.00 0.15 N ATOM 1946 CA HIS A 129 9.171 0.361 -6.655 1.00 0.15 C ATOM 1947 C HIS A 129 10.326 0.901 -5.823 1.00 0.15 C ATOM 1948 O HIS A 129 10.651 2.087 -5.891 1.00 0.15 O ATOM 1949 CB HIS A 129 9.236 0.912 -8.080 1.00 0.15 C ATOM 1950 CG HIS A 129 9.748 -0.089 -9.067 1.00 0.17 C ATOM 1951 ND1 HIS A 129 10.750 -0.993 -8.967 1.00 0.22 N flip ATOM 1952 CD2 HIS A 129 9.203 -0.262 -10.320 1.00 0.20 C flip ATOM 1953 CE1 HIS A 129 10.791 -1.697 -10.146 1.00 0.26 C flip ATOM 1954 NE2 HIS A 129 9.845 -1.234 -10.946 1.00 0.26 N flip ATOM 0 H HIS A 129 7.762 1.729 -5.944 1.00 0.15 H new ATOM 0 HA HIS A 129 9.239 -0.725 -6.718 1.00 0.15 H new ATOM 0 HB2 HIS A 129 8.241 1.239 -8.384 1.00 0.15 H new ATOM 0 HB3 HIS A 129 9.879 1.792 -8.095 1.00 0.15 H new ATOM 0 HD2 HIS A 129 8.380 0.307 -10.727 1.00 0.20 H new ATOM 0 HE1 HIS A 129 11.480 -2.495 -10.380 1.00 0.26 H new ATOM 0 HE2 HIS A 129 9.644 -1.570 -11.888 1.00 0.26 H new ATOM 1963 N LEU A 130 10.942 0.026 -5.040 1.00 0.16 N ATOM 1964 CA LEU A 130 12.036 0.426 -4.169 1.00 0.17 C ATOM 1965 C LEU A 130 13.339 0.577 -4.933 1.00 0.17 C ATOM 1966 O LEU A 130 13.797 -0.351 -5.599 1.00 0.25 O ATOM 1967 CB LEU A 130 12.214 -0.576 -3.029 1.00 0.22 C ATOM 1968 CG LEU A 130 11.919 -0.018 -1.638 1.00 0.46 C ATOM 1969 CD1 LEU A 130 10.434 -0.113 -1.326 1.00 1.36 C ATOM 1970 CD2 LEU A 130 12.741 -0.742 -0.587 1.00 1.41 C ATOM 0 H LEU A 130 10.702 -0.964 -4.991 1.00 0.16 H new ATOM 0 HA LEU A 130 11.775 1.399 -3.752 1.00 0.17 H new ATOM 0 HB2 LEU A 130 11.561 -1.430 -3.209 1.00 0.22 H new ATOM 0 HB3 LEU A 130 13.238 -0.948 -3.047 1.00 0.22 H new ATOM 0 HG LEU A 130 12.201 1.035 -1.623 1.00 0.46 H new ATOM 0 HD11 LEU A 130 10.245 0.290 -0.331 1.00 1.36 H new ATOM 0 HD12 LEU A 130 9.870 0.460 -2.062 1.00 1.36 H new ATOM 0 HD13 LEU A 130 10.121 -1.156 -1.361 1.00 1.36 H new ATOM 0 HD21 LEU A 130 12.517 -0.330 0.397 1.00 1.41 H new ATOM 0 HD22 LEU A 130 12.495 -1.804 -0.601 1.00 1.41 H new ATOM 0 HD23 LEU A 130 13.802 -0.612 -0.802 1.00 1.41 H new ATOM 1982 N ILE A 131 13.924 1.767 -4.838 1.00 0.13 N ATOM 1983 CA ILE A 131 15.182 2.055 -5.506 1.00 0.15 C ATOM 1984 C ILE A 131 16.362 1.800 -4.577 1.00 0.17 C ATOM 1985 O ILE A 131 17.289 1.068 -4.924 1.00 0.22 O ATOM 1986 CB ILE A 131 15.229 3.515 -5.996 1.00 0.18 C ATOM 1987 CG1 ILE A 131 14.001 3.822 -6.855 1.00 0.16 C ATOM 1988 CG2 ILE A 131 16.511 3.773 -6.775 1.00 0.26 C ATOM 1989 CD1 ILE A 131 13.873 5.284 -7.230 1.00 1.17 C ATOM 0 H ILE A 131 13.543 2.547 -4.303 1.00 0.13 H new ATOM 0 HA ILE A 131 15.251 1.389 -6.366 1.00 0.15 H new ATOM 0 HB ILE A 131 15.219 4.177 -5.130 1.00 0.18 H new ATOM 0 HG12 ILE A 131 14.047 3.225 -7.766 1.00 0.16 H new ATOM 0 HG13 ILE A 131 13.105 3.514 -6.316 1.00 0.16 H new ATOM 0 HG21 ILE A 131 16.529 4.809 -7.114 1.00 0.26 H new ATOM 0 HG22 ILE A 131 17.371 3.587 -6.132 1.00 0.26 H new ATOM 0 HG23 ILE A 131 16.553 3.108 -7.638 1.00 0.26 H new ATOM 0 HD11 ILE A 131 12.980 5.427 -7.839 1.00 1.17 H new ATOM 0 HD12 ILE A 131 13.795 5.886 -6.325 1.00 1.17 H new ATOM 0 HD13 ILE A 131 14.751 5.592 -7.797 1.00 1.17 H new ATOM 2001 N SER A 132 16.324 2.406 -3.393 1.00 0.17 N ATOM 2002 CA SER A 132 17.401 2.241 -2.426 1.00 0.20 C ATOM 2003 C SER A 132 16.972 2.702 -1.036 1.00 0.22 C ATOM 2004 O SER A 132 15.957 3.380 -0.877 1.00 0.23 O ATOM 2005 CB SER A 132 18.641 3.012 -2.873 1.00 0.23 C ATOM 2006 OG SER A 132 18.458 4.408 -2.723 1.00 1.17 O ATOM 0 H SER A 132 15.564 3.011 -3.083 1.00 0.17 H new ATOM 0 HA SER A 132 17.641 1.179 -2.373 1.00 0.20 H new ATOM 0 HB2 SER A 132 19.503 2.691 -2.288 1.00 0.23 H new ATOM 0 HB3 SER A 132 18.860 2.781 -3.916 1.00 0.23 H new ATOM 0 HG SER A 132 19.267 4.877 -3.015 1.00 1.17 H new ATOM 2012 N VAL A 133 17.760 2.323 -0.036 1.00 0.25 N ATOM 2013 CA VAL A 133 17.488 2.686 1.350 1.00 0.29 C ATOM 2014 C VAL A 133 18.539 3.660 1.870 1.00 0.41 C ATOM 2015 O VAL A 133 19.738 3.386 1.806 1.00 0.57 O ATOM 2016 CB VAL A 133 17.460 1.432 2.245 1.00 0.45 C ATOM 2017 CG1 VAL A 133 17.954 1.743 3.651 1.00 1.16 C ATOM 2018 CG2 VAL A 133 16.057 0.848 2.285 1.00 1.43 C ATOM 0 H VAL A 133 18.600 1.759 -0.162 1.00 0.25 H new ATOM 0 HA VAL A 133 16.511 3.169 1.382 1.00 0.29 H new ATOM 0 HB VAL A 133 18.136 0.693 1.815 1.00 0.45 H new ATOM 0 HG11 VAL A 133 17.922 0.837 4.257 1.00 1.16 H new ATOM 0 HG12 VAL A 133 18.979 2.111 3.603 1.00 1.16 H new ATOM 0 HG13 VAL A 133 17.316 2.503 4.101 1.00 1.16 H new ATOM 0 HG21 VAL A 133 16.050 -0.038 2.920 1.00 1.43 H new ATOM 0 HG22 VAL A 133 15.366 1.589 2.687 1.00 1.43 H new ATOM 0 HG23 VAL A 133 15.748 0.573 1.276 1.00 1.43 H new ATOM 2028 N LYS A 134 18.075 4.792 2.393 1.00 0.41 N ATOM 2029 CA LYS A 134 18.967 5.813 2.930 1.00 0.58 C ATOM 2030 C LYS A 134 20.147 6.052 1.994 1.00 0.68 C ATOM 2031 O LYS A 134 21.307 5.915 2.385 1.00 1.28 O ATOM 2032 CB LYS A 134 19.457 5.401 4.319 1.00 0.69 C ATOM 2033 CG LYS A 134 19.334 6.501 5.358 1.00 1.69 C ATOM 2034 CD LYS A 134 19.918 6.070 6.692 1.00 1.90 C ATOM 2035 CE LYS A 134 19.747 7.150 7.749 1.00 2.62 C ATOM 2036 NZ LYS A 134 20.316 6.736 9.061 1.00 3.08 N ATOM 0 H LYS A 134 17.084 5.025 2.456 1.00 0.41 H new ATOM 0 HA LYS A 134 18.412 6.747 3.015 1.00 0.58 H new ATOM 0 HB2 LYS A 134 18.889 4.533 4.653 1.00 0.69 H new ATOM 0 HB3 LYS A 134 20.500 5.093 4.250 1.00 0.69 H new ATOM 0 HG2 LYS A 134 19.848 7.395 5.006 1.00 1.69 H new ATOM 0 HG3 LYS A 134 18.285 6.766 5.487 1.00 1.69 H new ATOM 0 HD2 LYS A 134 19.431 5.153 7.025 1.00 1.90 H new ATOM 0 HD3 LYS A 134 20.977 5.842 6.571 1.00 1.90 H new ATOM 0 HE2 LYS A 134 20.234 8.066 7.415 1.00 2.62 H new ATOM 0 HE3 LYS A 134 18.688 7.377 7.868 1.00 2.62 H new ATOM 0 HZ1 LYS A 134 20.180 7.499 9.755 1.00 3.08 H new ATOM 0 HZ2 LYS A 134 19.834 5.876 9.393 1.00 3.08 H new ATOM 0 HZ3 LYS A 134 21.332 6.543 8.953 1.00 3.08 H new ATOM 2050 N LYS A 135 19.832 6.410 0.754 1.00 0.95 N ATOM 2051 CA LYS A 135 20.845 6.671 -0.260 1.00 1.05 C ATOM 2052 C LYS A 135 21.697 5.436 -0.523 1.00 0.97 C ATOM 2053 O LYS A 135 22.893 5.539 -0.797 1.00 0.99 O ATOM 2054 CB LYS A 135 21.734 7.837 0.162 1.00 1.19 C ATOM 2055 CG LYS A 135 21.015 9.173 0.186 1.00 1.67 C ATOM 2056 CD LYS A 135 21.988 10.326 0.366 1.00 2.16 C ATOM 2057 CE LYS A 135 22.660 10.283 1.732 1.00 2.86 C ATOM 2058 NZ LYS A 135 21.669 10.373 2.839 1.00 3.16 N ATOM 0 H LYS A 135 18.873 6.527 0.426 1.00 0.95 H new ATOM 0 HA LYS A 135 20.329 6.932 -1.184 1.00 1.05 H new ATOM 0 HB2 LYS A 135 22.138 7.634 1.154 1.00 1.19 H new ATOM 0 HB3 LYS A 135 22.581 7.902 -0.521 1.00 1.19 H new ATOM 0 HG2 LYS A 135 20.460 9.305 -0.743 1.00 1.67 H new ATOM 0 HG3 LYS A 135 20.286 9.181 0.997 1.00 1.67 H new ATOM 0 HD2 LYS A 135 22.747 10.288 -0.415 1.00 2.16 H new ATOM 0 HD3 LYS A 135 21.458 11.272 0.250 1.00 2.16 H new ATOM 0 HE2 LYS A 135 23.229 9.358 1.828 1.00 2.86 H new ATOM 0 HE3 LYS A 135 23.371 11.105 1.813 1.00 2.86 H new ATOM 0 HZ1 LYS A 135 22.159 10.612 3.725 1.00 3.16 H new ATOM 0 HZ2 LYS A 135 20.970 11.111 2.620 1.00 3.16 H new ATOM 0 HZ3 LYS A 135 21.185 9.459 2.947 1.00 3.16 H new ATOM 2072 N SER A 136 21.068 4.269 -0.436 1.00 0.99 N ATOM 2073 CA SER A 136 21.756 3.004 -0.667 1.00 0.96 C ATOM 2074 C SER A 136 22.974 2.864 0.242 1.00 1.03 C ATOM 2075 O SER A 136 24.110 2.813 -0.229 1.00 1.31 O ATOM 2076 CB SER A 136 22.178 2.889 -2.133 1.00 0.95 C ATOM 2077 OG SER A 136 22.814 1.647 -2.383 1.00 1.19 O ATOM 0 H SER A 136 20.079 4.173 -0.206 1.00 0.99 H new ATOM 0 HA SER A 136 21.062 2.197 -0.432 1.00 0.96 H new ATOM 0 HB2 SER A 136 21.303 2.990 -2.776 1.00 0.95 H new ATOM 0 HB3 SER A 136 22.855 3.705 -2.385 1.00 0.95 H new ATOM 0 HG SER A 136 23.627 1.581 -1.840 1.00 1.19 H new ATOM 2083 N SER A 137 22.730 2.804 1.547 1.00 0.91 N ATOM 2084 CA SER A 137 23.808 2.665 2.519 1.00 1.03 C ATOM 2085 C SER A 137 24.358 1.242 2.519 1.00 1.82 C ATOM 2086 O SER A 137 23.839 0.407 3.288 1.00 2.51 O ATOM 2087 CB SER A 137 23.313 3.032 3.919 1.00 1.57 C ATOM 2088 OG SER A 137 22.851 4.371 3.963 1.00 2.37 O ATOM 2089 OXT SER A 137 25.305 0.976 1.748 1.00 2.53 O ATOM 0 H SER A 137 21.796 2.849 1.955 1.00 0.91 H new ATOM 0 HA SER A 137 24.610 3.347 2.235 1.00 1.03 H new ATOM 0 HB2 SER A 137 22.509 2.357 4.212 1.00 1.57 H new ATOM 0 HB3 SER A 137 24.120 2.899 4.640 1.00 1.57 H new ATOM 0 HG SER A 137 22.285 4.547 3.183 1.00 2.37 H new TER 2095 SER A 137